9-amino-2-cyclopropyl-5-(2-methoxy-5-methylphenyl)-3H-pyrrolo[3,4-b]quinolin-1-one

C22H21N3O2 — CID 67487808

IUPAC9-amino-2-cyclopropyl-5-(2-methoxy-5-methylphenyl)-3H-pyrrolo[3,4-b]quinolin-1-one
SMILESCOc1ccc(C)cc1-c1cccc2c(N)c3c(nc12)CN(C1CC1)C3=O
InChIInChI=1S/C22H21N3O2/c1-12-6-9-18(27-2)16(10-12)14-4-3-5-15-20(23)19-17(24-21(14)15)11-25(22(19)26)13-7-8-13/h3-6,9-10,13H,7-8,11H2,1-2H3,(H2,23,24)
InChIKeyFNGRXRYHJDQVAT-UHFFFAOYSA-N
MW359.43 g/mol
LogP3.92
Rot. Bonds3

About 9-amino-2-cyclopropyl-5-(2-methoxy-5-methylphenyl)-3H-pyrrolo[3,4-b]quinolin-1-one

9-amino-2-cyclopropyl-5-(2-methoxy-5-methylphenyl)-3H-pyrrolo[3,4-b]quinolin-1-one (PubChem CID 67487808) has the molecular formula C22H21N3O2 and a molecular weight of 359.43 g/mol. Its IUPAC name is 9-amino-2-cyclopropyl-5-(2-methoxy-5-methylphenyl)-3H-pyrrolo[3,4-b]quinolin-1-one.

Molecular Properties

Compound Name9-amino-2-cyclopropyl-5-(2-methoxy-5-methylphenyl)-3H-pyrrolo[3,4-b]quinolin-1-one
PubChem CID67487808
Molecular FormulaC22H21N3O2
Molecular Weight359.43 g/mol
Exact Mass359.16
IUPAC Name9-amino-2-cyclopropyl-5-(2-methoxy-5-methylphenyl)-3H-pyrrolo[3,4-b]quinolin-1-one
SMILESCOc1ccc(C)cc1-c1cccc2c(N)c3c(nc12)CN(C1CC1)C3=O
InChIInChI=1S/C22H21N3O2/c1-12-6-9-18(27-2)16(10-12)14-4-3-5-15-20(23)19-17(24-21(14)15)11-25(22(19)26)13-7-8-13/h3-6,9-10,13H,7-8,11H2,1-2H3,(H2,23,24)
InChIKeyFNGRXRYHJDQVAT-UHFFFAOYSA-N
XLogP3.92
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 9-amino-2-cyclopropyl-5-(2-methoxy-5-methylphenyl)-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

Frequently Asked Questions

What is the IUPAC name of 9-amino-2-cyclopropyl-5-(2-methoxy-5-methylphenyl)-3H-pyrrolo[3,4-b]quinolin-1-one?
The IUPAC name of 9-amino-2-cyclopropyl-5-(2-methoxy-5-methylphenyl)-3H-pyrrolo[3,4-b]quinolin-1-one (CID 67487808) is 9-amino-2-cyclopropyl-5-(2-methoxy-5-methylphenyl)-3H-pyrrolo[3,4-b]quinolin-1-one.
What is the SMILES notation for 9-amino-2-cyclopropyl-5-(2-methoxy-5-methylphenyl)-3H-pyrrolo[3,4-b]quinolin-1-one?
The canonical SMILES for 9-amino-2-cyclopropyl-5-(2-methoxy-5-methylphenyl)-3H-pyrrolo[3,4-b]quinolin-1-one is COc1ccc(C)cc1-c1cccc2c(N)c3c(nc12)CN(C1CC1)C3=O.
What is the InChIKey of 9-amino-2-cyclopropyl-5-(2-methoxy-5-methylphenyl)-3H-pyrrolo[3,4-b]quinolin-1-one?
The InChIKey is FNGRXRYHJDQVAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O2/c1-12-6-9-18(27-2)16(10-12)14-4-3-5-15-20(23)19-17(24-21(14)15)11-25(22(19)26)13-7-8-13/h3-6,9-10,13H,7-8,11H2,1-2H3,(H2,23,24).
What are the key properties of 9-amino-2-cyclopropyl-5-(2-methoxy-5-methylphenyl)-3H-pyrrolo[3,4-b]quinolin-1-one?
9-amino-2-cyclopropyl-5-(2-methoxy-5-methylphenyl)-3H-pyrrolo[3,4-b]quinolin-1-one has a molecular weight of 359.43 g/mol, XLogP of 3.92, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-amino-2-cyclopropyl-5-(2-methoxy-5-methylphenyl)-3H-pyrrolo[3,4-b]quinolin-1-one is sourced from PubChem (CID 67487808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).