6-methoxy-9,11,11-trimethyl-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7,9-tetraene-2,3-dione|6-methoxy-9,11,11-trimethyl-1-azatricyclo[6.3.1.04,1</sup...

General Information

Structure

Molecular Formula

C₁₅H₁₅NO₃

Molecular Mass

257.2845

Exact Mass

257.10519335

Charge

InChI

InChI=1S/C15H15NO3/c1-8-7-15(2,3)16-12-10(8)5-9(19-4)6-11(12)13(17)14(16)18/h5-7H,1-4H3

InChIKey

BCSGQDMAQOOCSY-UHFFFAOYSA-N

Canonic Smiles

COc1cc2C(=CC(N3c2c(c1)C(=O)C3=O)(C)C)C

Isomeric Smiles

N12C(=O)C(=O)c3c1c(C(=CC2(C)C)C)cc(c3)OC

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

2.0156276

LogD (pH = 7.4)

2.0156276

Log P

2.0156276

Molar Refractivity

72.2663

Polarizability

27.19791

Polar Surface Area

46.61

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Commercial Catalog

Academic Data

Data Source

Names and Identifiers

IUPAC name

6-methoxy-9,11,11-trimethyl-1-azatricyclo[6.3.1.0⁴,¹²]dodeca-4(12),5,7,9-tetraene-2,3-dione 6-methoxy-9,11,11-trimethyl-1-azatricyclo[6.3.1.0^{4,12}]dodeca-4(12),5,7,9-tetraene-2,3-dione

IUPAC Traditional name

6-methoxy-9,11,11-trimethyl-1-azatricyclo[6.3.1.0⁴,¹²]dodeca-4(12),5,7,9-tetraene-2,3-dione 6-methoxy-9,11,11-trimethyl-1-azatricyclo[6.3.1.0^{4,12}]dodeca-4(12),5,7,9-tetraene-2,3-dione

Synonyms

8-Methoxy-4,4,6-trimethyl-4H-pyrrolo-[3,2,1-ij]quinoline-1,2-dione

Names and Identifiers

Registration numbers

MDL Number

MFCD03266531

PubChem CID

1603092

PubChem SID

162026894

Registration numbers

Properties