CAS 23680-84-4|2-Chloro-6,7-dimethoxyquinazolin-4-amine|2-chloro-6,7-dimethoxyquinazolin-4-amine|2-chloro-6,7-dimethoxyquinazolin-4-amine|4-Amino-2-chloro-6,7-dimethoxyquinazoline|2-Chloro-6,7-dimet...

General Information

Structure

Molecular Formula

C₁₀H₁₀ClN₃O₂

Molecular Mass

239.6583

Exact Mass

239.04615426

Charge

InChI

InChI=1S/C10H10ClN3O2/c1-15-7-3-5-6(4-8(7)16-2)13-10(11)14-9(5)12/h3-4H,1-2H3,(H2,12,13,14)

InChIKey

HWIIAAVGRHKSOJ-UHFFFAOYSA-N

Canonic Smiles

COc1cc2nc(Cl)nc(c2cc1OC)N

Isomeric Smiles

n1c(c2c(nc1Cl)cc(c(c2)OC)OC)N

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

1.7826276

LogD (pH = 7.4)

1.7837871

Log P

1.7838019

Molar Refractivity

62.2394

Polarizability

24.22446

Polar Surface Area

70.26

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

Synonyms

2-Chloro-6,7-dimethoxyquinazolin-4-amine4-Amino-2-chloro-6,7-dimethoxyquinazoline2-Chloro-6,7-dimethoxyquinazolin-4-amine2-氯-6,7-二甲氧基-4-喹唑啉胺2-Chloro-6,7-dimethoxy-4-quinazolinamine2-Chloro-4-amino-6,7-dimethoxyquinazoline4-氨基-2-氯-6,7-二甲氧基喹唑啉4-Amino-2-chloro-6,7-dimethoxyquinazoline2-chloro-6,7-diMethoxy-4-QuinazolinaMine

IUPAC Traditional name

2-chloro-6,7-dimethoxyquinazolin-4-amine

IUPAC name

2-chloro-6,7-dimethoxyquinazolin-4-amine

Names and Identifiers

Registration numbers

CAS Number

MDL Number

Beilstein Number

EC Number

PubChem SID

2487403516099798424884886

PubChem CID

90235

Registration numbers

Properties

Related Proteins

No Data Available

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Molecular Spectra

No Data Available

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Molecule Details

Sigma Aldrich

518654

Packaging
25 g in glass bottle

66715

Other Notes
Building block for preparing terazosine and its analogues, α1-adrenoceptor antagonists, see e.g.1

TRC

A603439

Intermediate in the production on Terazosin.

Molecule Details

References

PubChem Literature

From Data Sources

• Shaw, Y., et al.: J. Med. Chem., 47, 4453 (2004)

• Mendes da Silva, J., et al.: Bioorg. Med. Chem., 16, 7254 (2004)

• Key starting material for synthesis of the ɑ ₁-adrenergic blocker Prazosin. It has also been used in the synthesis of related compounds: J. Med. Chem., 36, 690 (1993).

References

Bioactivity

PubChem BioAssay

Bioactivity

Names and Identifiers

Synonyms

IUPAC Traditional name

2-chloro-6,7-dimethoxyquinazolin-4-amine

IUPAC name

2-chloro-6,7-dimethoxyquinazolin-4-amine

Registration numbers

CAS Number

MDL Number

Beilstein Number

EC Number

PubChem SID

2487403516099798424884886

PubChem CID

90235

Molecule Details

Sigma Aldrich

518654

Packaging
25 g in glass bottle

66715

Other Notes
Building block for preparing terazosine and its analogues, α1-adrenoceptor antagonists, see e.g.1

TRC

A603439

Intermediate in the production on Terazosin.

References

PubChem Literature

From Data Sources

• Shaw, Y., et al.: J. Med. Chem., 47, 4453 (2004)

• Mendes da Silva, J., et al.: Bioorg. Med. Chem., 16, 7254 (2004)

• Key starting material for synthesis of the ɑ ₁-adrenergic blocker Prazosin. It has also been used in the synthesis of related compounds: J. Med. Chem., 36, 690 (1993).

Bioactivity

PubChem BioAssay

Properties

Molecule

ID:34677