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

C20H18FN3O2 — CID 69242731

IUPAC9-amino-2-ethyl-5-(3-fluoro-2-methoxyphenyl)-3H-pyrrolo[3,4-b]quinolin-1-one
SMILESCCN1Cc2nc3c(-c4cccc(F)c4OC)cccc3c(N)c2C1=O
InChIInChI=1S/C20H18FN3O2/c1-3-24-10-15-16(20(24)25)17(22)13-8-4-6-11(18(13)23-15)12-7-5-9-14(21)19(12)26-2/h4-9H,3,10H2,1-2H3,(H2,22,23)
InChIKeyWFAYLVBNKNNQFU-UHFFFAOYSA-N
MW351.38 g/mol
LogP3.61
Rot. Bonds3

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

9-amino-2-ethyl-5-(3-fluoro-2-methoxyphenyl)-3H-pyrrolo[3,4-b]quinolin-1-one (PubChem CID 69242731) has the molecular formula C20H18FN3O2 and a molecular weight of 351.38 g/mol. Its IUPAC name is 9-amino-2-ethyl-5-(3-fluoro-2-methoxyphenyl)-3H-pyrrolo[3,4-b]quinolin-1-one.

Molecular Properties

Compound Name9-amino-2-ethyl-5-(3-fluoro-2-methoxyphenyl)-3H-pyrrolo[3,4-b]quinolin-1-one
PubChem CID69242731
Molecular FormulaC20H18FN3O2
Molecular Weight351.38 g/mol
Exact Mass351.14
IUPAC Name9-amino-2-ethyl-5-(3-fluoro-2-methoxyphenyl)-3H-pyrrolo[3,4-b]quinolin-1-one
SMILESCCN1Cc2nc3c(-c4cccc(F)c4OC)cccc3c(N)c2C1=O
InChIInChI=1S/C20H18FN3O2/c1-3-24-10-15-16(20(24)25)17(22)13-8-4-6-11(18(13)23-15)12-7-5-9-14(21)19(12)26-2/h4-9H,3,10H2,1-2H3,(H2,22,23)
InChIKeyWFAYLVBNKNNQFU-UHFFFAOYSA-N
XLogP3.61
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.38
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-benzoylpiperazin-1-yl)-2-[4-fluoro-7-(4-methoxyphenyl)-1H-indol-3-yl]ethane-1,2-dione
CID 507829
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
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
(2-(5-fluoro-2-methylphenoxy)-1-phenyl-1H-indol-3-yl)(piperazin-1-yl)methanone
CID 44160196
(1-phenyl-2-(o-tolyloxy)-1H-indol-3-yl)(piperazin-1-yl)methanone
CID 44160197
2-(5-fluoro-2-methylphenoxy)-1-phenyl-3-(piperazine-1-carbonyl)-1H-indole-5-carboxamide
CID 52944597
9-amino-2-cyclopentyl-5-(2,5-dimethoxyphenyl)-3H-pyrrolo[3,4-b]quinolin-1-one
CID 54581333
9-amino-5-(2,5-dimethoxyphenyl)-2-ethyl-3H-pyrrolo[3,4-b]quinolin-1-one
CID 54586209

Frequently Asked Questions

What is the IUPAC name of 9-amino-2-ethyl-5-(3-fluoro-2-methoxyphenyl)-3H-pyrrolo[3,4-b]quinolin-1-one?
The IUPAC name of 9-amino-2-ethyl-5-(3-fluoro-2-methoxyphenyl)-3H-pyrrolo[3,4-b]quinolin-1-one (CID 69242731) is 9-amino-2-ethyl-5-(3-fluoro-2-methoxyphenyl)-3H-pyrrolo[3,4-b]quinolin-1-one.
What is the SMILES notation for 9-amino-2-ethyl-5-(3-fluoro-2-methoxyphenyl)-3H-pyrrolo[3,4-b]quinolin-1-one?
The canonical SMILES for 9-amino-2-ethyl-5-(3-fluoro-2-methoxyphenyl)-3H-pyrrolo[3,4-b]quinolin-1-one is CCN1Cc2nc3c(-c4cccc(F)c4OC)cccc3c(N)c2C1=O.
What is the InChIKey of 9-amino-2-ethyl-5-(3-fluoro-2-methoxyphenyl)-3H-pyrrolo[3,4-b]quinolin-1-one?
The InChIKey is WFAYLVBNKNNQFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN3O2/c1-3-24-10-15-16(20(24)25)17(22)13-8-4-6-11(18(13)23-15)12-7-5-9-14(21)19(12)26-2/h4-9H,3,10H2,1-2H3,(H2,22,23).
What are the key properties of 9-amino-2-ethyl-5-(3-fluoro-2-methoxyphenyl)-3H-pyrrolo[3,4-b]quinolin-1-one?
9-amino-2-ethyl-5-(3-fluoro-2-methoxyphenyl)-3H-pyrrolo[3,4-b]quinolin-1-one has a molecular weight of 351.38 g/mol, XLogP of 3.61, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-amino-2-ethyl-5-(3-fluoro-2-methoxyphenyl)-3H-pyrrolo[3,4-b]quinolin-1-one is sourced from PubChem (CID 69242731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).