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

C21H21N3O3 — CID 25130338

IUPAC9-amino-5-(3,4-dimethoxyphenyl)-2-ethyl-3H-pyrrolo[3,4-b]quinolin-1-one
SMILESCCN1Cc2nc3c(-c4ccc(OC)c(OC)c4)cccc3c(N)c2C1=O
InChIInChI=1S/C21H21N3O3/c1-4-24-11-15-18(21(24)25)19(22)14-7-5-6-13(20(14)23-15)12-8-9-16(26-2)17(10-12)27-3/h5-10H,4,11H2,1-3H3,(H2,22,23)
InChIKeyDWZHLSUVOZWIGJ-UHFFFAOYSA-N
MW363.42 g/mol
LogP3.48
Rot. Bonds4

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

9-amino-5-(3,4-dimethoxyphenyl)-2-ethyl-3H-pyrrolo[3,4-b]quinolin-1-one (PubChem CID 25130338) has the molecular formula C21H21N3O3 and a molecular weight of 363.42 g/mol. Its IUPAC name is 9-amino-5-(3,4-dimethoxyphenyl)-2-ethyl-3H-pyrrolo[3,4-b]quinolin-1-one.

Molecular Properties

Compound Name9-amino-5-(3,4-dimethoxyphenyl)-2-ethyl-3H-pyrrolo[3,4-b]quinolin-1-one
PubChem CID25130338
Molecular FormulaC21H21N3O3
Molecular Weight363.42 g/mol
Exact Mass363.16
IUPAC Name9-amino-5-(3,4-dimethoxyphenyl)-2-ethyl-3H-pyrrolo[3,4-b]quinolin-1-one
SMILESCCN1Cc2nc3c(-c4ccc(OC)c(OC)c4)cccc3c(N)c2C1=O
InChIInChI=1S/C21H21N3O3/c1-4-24-11-15-18(21(24)25)19(22)14-7-5-6-13(20(14)23-15)12-8-9-16(26-2)17(10-12)27-3/h5-10H,4,11H2,1-3H3,(H2,22,23)
InChIKeyDWZHLSUVOZWIGJ-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

5-Ethyl-7,8-dimethoxy-1H-pyrrolo[3,4-c]isoquinoline-1,3(2H)-dione
CID 23829003
9-Amino-2-cyclobutyl-5-(2,5-dimethoxyphenyl)-6-fluoro-2,3-dihydropyrrolo[3,4-b]quinolin-1-one
CID 54582353
N-[2-[(2S)-2-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoacetyl]pyrrolidin-1-yl]-2-oxoethyl]quinoline-4-carboxamide
CID 164614014
N-[2-[(2S)-2-[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoacetyl]pyrrolidin-1-yl]-2-oxoethyl]quinoline-4-carboxamide
CID 164628729
3,4-dimethoxy-N-[(2-methylquinolin-4-yl)methyl]benzamide
CID 1504527
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
N-[2-(3,4-Diethoxyphenyl)ethyl]-1,5-dimethyl-4-oxo-1H,4H,5H-pyrrolo[3,2-C]quinoline-2-carboxamide
CID 16008892
N-cyclopentyl-2-(3,4-dimethoxyphenyl)quinoline-4-carboxamide
CID 1223033
[2-(3,4-Dimethoxyphenyl)quinolin-4-yl]-piperidin-1-ylmethanone
CID 4334700
(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(2,3-dimethyl-1H-indol-5-yl)methanone
CID 4868821
ethyl 3-{[2-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)propanoyl]amino}-5-fluoro-1H-indole-2-carboxylate
CID 662125

Frequently Asked Questions

What is the IUPAC name of 9-amino-5-(3,4-dimethoxyphenyl)-2-ethyl-3H-pyrrolo[3,4-b]quinolin-1-one?
The IUPAC name of 9-amino-5-(3,4-dimethoxyphenyl)-2-ethyl-3H-pyrrolo[3,4-b]quinolin-1-one (CID 25130338) is 9-amino-5-(3,4-dimethoxyphenyl)-2-ethyl-3H-pyrrolo[3,4-b]quinolin-1-one.
What is the SMILES notation for 9-amino-5-(3,4-dimethoxyphenyl)-2-ethyl-3H-pyrrolo[3,4-b]quinolin-1-one?
The canonical SMILES for 9-amino-5-(3,4-dimethoxyphenyl)-2-ethyl-3H-pyrrolo[3,4-b]quinolin-1-one is CCN1Cc2nc3c(-c4ccc(OC)c(OC)c4)cccc3c(N)c2C1=O.
What is the InChIKey of 9-amino-5-(3,4-dimethoxyphenyl)-2-ethyl-3H-pyrrolo[3,4-b]quinolin-1-one?
The InChIKey is DWZHLSUVOZWIGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O3/c1-4-24-11-15-18(21(24)25)19(22)14-7-5-6-13(20(14)23-15)12-8-9-16(26-2)17(10-12)27-3/h5-10H,4,11H2,1-3H3,(H2,22,23).
What are the key properties of 9-amino-5-(3,4-dimethoxyphenyl)-2-ethyl-3H-pyrrolo[3,4-b]quinolin-1-one?
9-amino-5-(3,4-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-(3,4-dimethoxyphenyl)-2-ethyl-3H-pyrrolo[3,4-b]quinolin-1-one is sourced from PubChem (CID 25130338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).