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

C21H21N3O3 — CID 54586209

IUPAC9-amino-5-(2,5-dimethoxyphenyl)-2-ethyl-3H-pyrrolo[3,4-b]quinolin-1-one
SMILESCCN1Cc2nc3c(-c4cc(OC)ccc4OC)cccc3c(N)c2C1=O
InChIInChI=1S/C21H21N3O3/c1-4-24-11-16-18(21(24)25)19(22)14-7-5-6-13(20(14)23-16)15-10-12(26-2)8-9-17(15)27-3/h5-10H,4,11H2,1-3H3,(H2,22,23)
InChIKeyLFWNCDNFYFPIPT-UHFFFAOYSA-N
MW363.42 g/mol
LogP3.48
Rot. Bonds4

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

9-amino-5-(2,5-dimethoxyphenyl)-2-ethyl-3H-pyrrolo[3,4-b]quinolin-1-one (PubChem CID 54586209) has the molecular formula C21H21N3O3 and a molecular weight of 363.42 g/mol. Its IUPAC name is 9-amino-5-(2,5-dimethoxyphenyl)-2-ethyl-3H-pyrrolo[3,4-b]quinolin-1-one.

Molecular Properties

Compound Name9-amino-5-(2,5-dimethoxyphenyl)-2-ethyl-3H-pyrrolo[3,4-b]quinolin-1-one
PubChem CID54586209
Molecular FormulaC21H21N3O3
Molecular Weight363.42 g/mol
Exact Mass363.16
IUPAC Name9-amino-5-(2,5-dimethoxyphenyl)-2-ethyl-3H-pyrrolo[3,4-b]quinolin-1-one
SMILESCCN1Cc2nc3c(-c4cc(OC)ccc4OC)cccc3c(N)c2C1=O
InChIInChI=1S/C21H21N3O3/c1-4-24-11-16-18(21(24)25)19(22)14-7-5-6-13(20(14)23-16)15-10-12(26-2)8-9-17(15)27-3/h5-10H,4,11H2,1-3H3,(H2,22,23)
InChIKeyLFWNCDNFYFPIPT-UHFFFAOYSA-N
XLogP3.48
TPSA77.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Hortiacine
CID 378227
9-Amino-2-cyclobutyl-5-(2,5-dimethoxyphenyl)-6-fluoro-2,3-dihydropyrrolo[3,4-b]quinolin-1-one
CID 54582353
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
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CID 4900021
6-(4-Methoxy-phenyl)-3,4-dihydro-2H-[1,4]diazepino[6,7,1-hi]indol-1-one
CID 11162143
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
9-amino-2-cyclopentyl-5-(2,5-dimethoxyphenyl)-3H-pyrrolo[3,4-b]quinolin-1-one
CID 54581333
3-(3-methoxyphenyl)-6-(4-methylpiperazine-1-carbonyl)-9H-carbazole-1-carboxamide
CID 66605756

Frequently Asked Questions

What is the IUPAC name of 9-amino-5-(2,5-dimethoxyphenyl)-2-ethyl-3H-pyrrolo[3,4-b]quinolin-1-one?
The IUPAC name of 9-amino-5-(2,5-dimethoxyphenyl)-2-ethyl-3H-pyrrolo[3,4-b]quinolin-1-one (CID 54586209) is 9-amino-5-(2,5-dimethoxyphenyl)-2-ethyl-3H-pyrrolo[3,4-b]quinolin-1-one.
What is the SMILES notation for 9-amino-5-(2,5-dimethoxyphenyl)-2-ethyl-3H-pyrrolo[3,4-b]quinolin-1-one?
The canonical SMILES for 9-amino-5-(2,5-dimethoxyphenyl)-2-ethyl-3H-pyrrolo[3,4-b]quinolin-1-one is CCN1Cc2nc3c(-c4cc(OC)ccc4OC)cccc3c(N)c2C1=O.
What is the InChIKey of 9-amino-5-(2,5-dimethoxyphenyl)-2-ethyl-3H-pyrrolo[3,4-b]quinolin-1-one?
The InChIKey is LFWNCDNFYFPIPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O3/c1-4-24-11-16-18(21(24)25)19(22)14-7-5-6-13(20(14)23-16)15-10-12(26-2)8-9-17(15)27-3/h5-10H,4,11H2,1-3H3,(H2,22,23).
What are the key properties of 9-amino-5-(2,5-dimethoxyphenyl)-2-ethyl-3H-pyrrolo[3,4-b]quinolin-1-one?
9-amino-5-(2,5-dimethoxyphenyl)-2-ethyl-3H-pyrrolo[3,4-b]quinolin-1-one has a molecular weight of 363.42 g/mol, XLogP of 3.48, 4 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-ethyl-3H-pyrrolo[3,4-b]quinolin-1-one is sourced from PubChem (CID 54586209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).