9-amino-5-(2,5-dimethoxyphenyl)-2-methyl-3H-pyrrolo[3,4-b]quinolin-1-one

C20H19N3O3 — CID 54581334

IUPAC9-amino-5-(2,5-dimethoxyphenyl)-2-methyl-3H-pyrrolo[3,4-b]quinolin-1-one
SMILESCOc1ccc(OC)c(-c2cccc3c(N)c4c(nc23)CN(C)C4=O)c1
InChIInChI=1S/C20H19N3O3/c1-23-10-15-17(20(23)24)18(21)13-6-4-5-12(19(13)22-15)14-9-11(25-2)7-8-16(14)26-3/h4-9H,10H2,1-3H3,(H2,21,22)
InChIKeyCVIQAXGTYHLXOI-UHFFFAOYSA-N
MW349.39 g/mol
LogP3.09
Rot. Bonds3

About 9-amino-5-(2,5-dimethoxyphenyl)-2-methyl-3H-pyrrolo[3,4-b]quinolin-1-one

9-amino-5-(2,5-dimethoxyphenyl)-2-methyl-3H-pyrrolo[3,4-b]quinolin-1-one (PubChem CID 54581334) has the molecular formula C20H19N3O3 and a molecular weight of 349.39 g/mol. Its IUPAC name is 9-amino-5-(2,5-dimethoxyphenyl)-2-methyl-3H-pyrrolo[3,4-b]quinolin-1-one.

Molecular Properties

Compound Name9-amino-5-(2,5-dimethoxyphenyl)-2-methyl-3H-pyrrolo[3,4-b]quinolin-1-one
PubChem CID54581334
Molecular FormulaC20H19N3O3
Molecular Weight349.39 g/mol
Exact Mass349.14
IUPAC Name9-amino-5-(2,5-dimethoxyphenyl)-2-methyl-3H-pyrrolo[3,4-b]quinolin-1-one
SMILESCOc1ccc(OC)c(-c2cccc3c(N)c4c(nc23)CN(C)C4=O)c1
InChIInChI=1S/C20H19N3O3/c1-23-10-15-17(20(23)24)18(21)13-6-4-5-12(19(13)22-15)14-9-11(25-2)7-8-16(14)26-3/h4-9H,10H2,1-3H3,(H2,21,22)
InChIKeyCVIQAXGTYHLXOI-UHFFFAOYSA-N
XLogP3.09
TPSA77.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 9-amino-5-(2,5-dimethoxyphenyl)-2-methyl-3H-pyrrolo[3,4-b]quinolin-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

9-amino-5-(2-methoxy-5-methylphenyl)-2-methyl-3H-pyrrolo[3,4-b]quinolin-1-one
CID 67487851
9-amino-5-(2,6-dimethoxy-3-pyridinyl)-2-methyl-3H-pyrrolo[3,4-b]quinolin-1-one
CID 25130340
9-amino-5-(2-fluoro-6-methoxyphenyl)-2-methyl-3H-pyrrolo[3,4-b]quinolin-1-one
CID 25129986
9-amino-2-(1,3-benzodioxol-5-ylmethyl)-5-(2,5-dimethoxyphenyl)-3H-pyrrolo[3,4-b]quinolin-1-one
CID 67487280
9-amino-2-cyclopropyl-5-(2-methoxy-5-methylphenyl)-3H-pyrrolo[3,4-b]quinolin-1-one
CID 67487808
9-amino-5-bromo-2-methyl-3H-pyrrolo[3,4-b]quinolin-1-one
CID 67485495
9-amino-5-(2,5-difluoro-4-methoxyphenyl)-2-[(4-methoxyphenyl)methyl]-3H-pyrrolo[3,4-b]quinolin-1-one
CID 67487453
9-amino-2-ethyl-5-(3-fluoro-2-methoxyphenyl)-3H-pyrrolo[3,4-b]quinolin-1-one
CID 69242731
9-amino-2-cyclopropyl-5-(3,4-dimethoxyphenoxy)-3H-pyrrolo[3,4-b]quinolin-1-one
CID 25131332
9-amino-2-ethyl-5-(4-fluoro-3-methoxyphenyl)-3H-pyrrolo[3,4-b]quinolin-1-one
CID 25132711
9-amino-5-(2-chloro-6-methyl-3-pyridinyl)-2-[(3,4-dimethoxyphenyl)methyl]-3H-pyrrolo[3,4-b]quinolin-1-one
CID 25129989
9-amino-2-cyclopentyl-5-(2,6-dimethoxy-3-pyridinyl)-3H-pyrrolo[3,4-b]quinolin-1-one
CID 67486972

Frequently Asked Questions

What is the IUPAC name of 9-amino-5-(2,5-dimethoxyphenyl)-2-methyl-3H-pyrrolo[3,4-b]quinolin-1-one?
The IUPAC name of 9-amino-5-(2,5-dimethoxyphenyl)-2-methyl-3H-pyrrolo[3,4-b]quinolin-1-one (CID 54581334) is 9-amino-5-(2,5-dimethoxyphenyl)-2-methyl-3H-pyrrolo[3,4-b]quinolin-1-one.
What is the SMILES notation for 9-amino-5-(2,5-dimethoxyphenyl)-2-methyl-3H-pyrrolo[3,4-b]quinolin-1-one?
The canonical SMILES for 9-amino-5-(2,5-dimethoxyphenyl)-2-methyl-3H-pyrrolo[3,4-b]quinolin-1-one is COc1ccc(OC)c(-c2cccc3c(N)c4c(nc23)CN(C)C4=O)c1.
What is the InChIKey of 9-amino-5-(2,5-dimethoxyphenyl)-2-methyl-3H-pyrrolo[3,4-b]quinolin-1-one?
The InChIKey is CVIQAXGTYHLXOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O3/c1-23-10-15-17(20(23)24)18(21)13-6-4-5-12(19(13)22-15)14-9-11(25-2)7-8-16(14)26-3/h4-9H,10H2,1-3H3,(H2,21,22).
What are the key properties of 9-amino-5-(2,5-dimethoxyphenyl)-2-methyl-3H-pyrrolo[3,4-b]quinolin-1-one?
9-amino-5-(2,5-dimethoxyphenyl)-2-methyl-3H-pyrrolo[3,4-b]quinolin-1-one has a molecular weight of 349.39 g/mol, XLogP of 3.09, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-amino-5-(2,5-dimethoxyphenyl)-2-methyl-3H-pyrrolo[3,4-b]quinolin-1-one is sourced from PubChem (CID 54581334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).