3-(5-amino-2-methylphenyl)-6-(4-methyl-1,4-diazepan-1-yl)quinazolin-4-one|3-(5-amino-2-methylphenyl)-6-(4-methyl-1,4-diazepan-1-yl)-3,4-dihydroquinazolin-4-one|3-(5-amino-2-methylphenyl)-6-(4-methyl...

General Information

Structure

Molecular Formula

C₂₁H₂₅N₅O

Molecular Mass

363.4561

Exact Mass

363.20591045

Charge

InChI

InChI=1S/C21H25N5O/c1-15-4-5-16(22)12-20(15)26-14-23-19-7-6-17(13-18(19)21(26)27)25-9-3-8-24(2)10-11-25/h4-7,12-14H,3,8-11,22H2,1-2H3

InChIKey

BCBOIHTUHDYREE-UHFFFAOYSA-N

Canonic Smiles

CN1CCCN(CC1)c1ccc2c(c1)c(=O)n(cn2)c1cc(N)ccc1C

Isomeric Smiles

n1(c(=O)c2cc(N3CCN(CCC3)C)ccc2nc1)c1cc(N)ccc1C

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

-0.6729147

LogD (pH = 7.4)

1.0677129

Log P

2.305995

Molar Refractivity

112.6594

Polarizability

40.642643

Polar Surface Area

65.17

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Commercial Catalog

Academic Data

Data Source

Names and Identifiers

IUPAC Traditional name

3-(5-amino-2-methylphenyl)-6-(4-methyl-1,4-diazepan-1-yl)quinazolin-4-one

IUPAC name

3-(5-amino-2-methylphenyl)-6-(4-methyl-1,4-diazepan-1-yl)-3,4-dihydroquinazolin-4-one

Synonyms

3-(5-amino-2-methylphenyl)-6-(4-methylperhydro-1,4-diazepin-1-yl)-3H-quinazolin-4-one

Names and Identifiers

Registration numbers

PubChem CID

22238161

PubChem SID

162105638

Registration numbers

Properties

No Data Available

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Related Proteins

No Data Available

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Molecular Spectra

No Data Available

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Molecule Details

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References

PubChem Literature

No Data Available

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References

Bioactivity

PubChem BioAssay

Bioactivity

Molecule

ID:101804