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

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Related Compounds

9-Amino-2-cyclobutyl-5-(2,5-dimethoxyphenyl)-6-fluoro-2,3-dihydropyrrolo[3,4-b]quinolin-1-one
CID 54582353
(6S)-6-benzyl-4-(5-cyclopropyl-1H-indole-2-carbonyl)-1-[(2-methoxyphenyl)methyl]piperazin-2-one
CID 122600761
9-Amino-2-cyclobutyl-5-(2-methoxypyridin-3-yl)-2,3-dihydropyrrolo[3,4-b]quinolin-1-one
CID 25131330
4-Acridinecarboxamide, 9-amino-N-(2-(dimethylamino)ethyl)-1-methoxy-
CID 150543
6-(4-Methoxy-phenyl)-3,4-dihydro-2H-[1,4]diazepino[6,7,1-hi]indol-1-one
CID 11162143
(4-Methoxyphenyl)-[2-methyl-1-[(1-methylpiperidin-2-yl)methyl]indol-3-yl]methanone
CID 15015461
9-Amino-2-cyclopropyl-5-(2,5-dimethoxyphenyl)-2,3-dihydropyrrolo[3,4-b]quinolin-1-one
CID 25129987
9-amino-5-(2,5-dimethoxyphenyl)-2-ethyl-6-fluoro-2,3-dihydro-1H-pyrrolo[3,4-b]quinolin-1-one
CID 25130339
9-amino-2-cyclopropyl-5-(2,5-dimethoxyphenyl)-6-fluoro-2,3-dihydro-1H-pyrrolo[3,4-b]quinolin-1-one
CID 25130681
9-amino-2-cyclobutyl-5-(2,5-dimethoxyphenyl)-2,3-dihydro-1H-pyrrolo[3,4-b]quinolin-1-one
CID 25131005
(1-phenyl-2-(o-tolyloxy)-1H-indol-3-yl)(piperazin-1-yl)methanone
CID 44160197
3-(4-methoxyphenyl)-7-(4-methylpiperazine-1-carbonyl)-9H-carbazole-1-carboxamide
CID 46832443

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).