9-amino-2-(cyclobutadienyl)-6-fluoro-5-(2-methoxy-3-pyridinyl)-3H-pyrrolo[3,4-b]quinolin-1-one

C21H15FN4O2 — CID 67485780

IUPAC9-amino-2-(cyclobutadienyl)-6-fluoro-5-(2-methoxy-3-pyridinyl)-3H-pyrrolo[3,4-b]quinolin-1-one
SMILESCOc1ncccc1-c1c(F)ccc2c(N)c3c(nc12)CN(C1=CC=C1)C3=O
InChIInChI=1S/C21H15FN4O2/c1-28-20-12(6-3-9-24-20)16-14(22)8-7-13-18(23)17-15(25-19(13)16)10-26(21(17)27)11-4-2-5-11/h2-9H,10H2,1H3,(H2,23,25)
InChIKeyIXEBGZZLTNUBDB-UHFFFAOYSA-N
MW374.38 g/mol
LogP3.44
Rot. Bonds3

About 9-amino-2-(cyclobutadienyl)-6-fluoro-5-(2-methoxy-3-pyridinyl)-3H-pyrrolo[3,4-b]quinolin-1-one

9-amino-2-(cyclobutadienyl)-6-fluoro-5-(2-methoxy-3-pyridinyl)-3H-pyrrolo[3,4-b]quinolin-1-one (PubChem CID 67485780) has the molecular formula C21H15FN4O2 and a molecular weight of 374.38 g/mol. Its IUPAC name is 9-amino-2-(cyclobutadienyl)-6-fluoro-5-(2-methoxy-3-pyridinyl)-3H-pyrrolo[3,4-b]quinolin-1-one.

Molecular Properties

Compound Name9-amino-2-(cyclobutadienyl)-6-fluoro-5-(2-methoxy-3-pyridinyl)-3H-pyrrolo[3,4-b]quinolin-1-one
PubChem CID67485780
Molecular FormulaC21H15FN4O2
Molecular Weight374.38 g/mol
Exact Mass374.12
IUPAC Name9-amino-2-(cyclobutadienyl)-6-fluoro-5-(2-methoxy-3-pyridinyl)-3H-pyrrolo[3,4-b]quinolin-1-one
SMILESCOc1ncccc1-c1c(F)ccc2c(N)c3c(nc12)CN(C1=CC=C1)C3=O
InChIInChI=1S/C21H15FN4O2/c1-28-20-12(6-3-9-24-20)16-14(22)8-7-13-18(23)17-15(25-19(13)16)10-26(21(17)27)11-4-2-5-11/h2-9H,10H2,1H3,(H2,23,25)
InChIKeyIXEBGZZLTNUBDB-UHFFFAOYSA-N
XLogP3.44
TPSA81.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.38
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 9-amino-2-(cyclobutadienyl)-6-fluoro-5-(2-methoxy-3-pyridinyl)-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

Related Compounds

2,5-Dihydro-2-(4-methoxyphenyl)-3H-pyrazolo(4,3-c)quinolin-3-one
CID 100812
2-(4-methoxyphenyl)-8-methyl-5H-pyrazolo[4,3-c]quinolin-3-one
CID 5273071
8-Methoxy-2-phenyl-2,5-dihydro-pyrazolo-(4,3-c)quinolin-3-one
CID 10039909
2-(4-fluorophenyl)-8-methoxy-1H-pyrazolo[4,3-c]quinolin-3-one
CID 13093687
9-Amino-2-cyclobutyl-5-(2,5-dimethoxyphenyl)-6-fluoro-2,3-dihydropyrrolo[3,4-b]quinolin-1-one
CID 54582353
4-[3-[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]propylamino]-3-N,3-N-dimethylquinoline-3,8-dicarboxamide
CID 10744240
2-(2-fluorophenyl)-8-methoxy-1H-pyrazolo[4,3-c]quinolin-3-one
CID 13093674
6-(4-methoxyphenyl)-N-[3-(pyrrolidin-1-ylmethyl)quinolin-7-yl]pyridine-3-carboxamide
CID 18436125
2-(3-Fluoro-4-methoxy-phenyl)-8,9,10,11-tetrahydro-3,8,11-triaza-benzo[a]fluoren-7-one
CID 25066617
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

Frequently Asked Questions

What is the IUPAC name of 9-amino-2-(cyclobutadienyl)-6-fluoro-5-(2-methoxy-3-pyridinyl)-3H-pyrrolo[3,4-b]quinolin-1-one?
The IUPAC name of 9-amino-2-(cyclobutadienyl)-6-fluoro-5-(2-methoxy-3-pyridinyl)-3H-pyrrolo[3,4-b]quinolin-1-one (CID 67485780) is 9-amino-2-(cyclobutadienyl)-6-fluoro-5-(2-methoxy-3-pyridinyl)-3H-pyrrolo[3,4-b]quinolin-1-one.
What is the SMILES notation for 9-amino-2-(cyclobutadienyl)-6-fluoro-5-(2-methoxy-3-pyridinyl)-3H-pyrrolo[3,4-b]quinolin-1-one?
The canonical SMILES for 9-amino-2-(cyclobutadienyl)-6-fluoro-5-(2-methoxy-3-pyridinyl)-3H-pyrrolo[3,4-b]quinolin-1-one is COc1ncccc1-c1c(F)ccc2c(N)c3c(nc12)CN(C1=CC=C1)C3=O.
What is the InChIKey of 9-amino-2-(cyclobutadienyl)-6-fluoro-5-(2-methoxy-3-pyridinyl)-3H-pyrrolo[3,4-b]quinolin-1-one?
The InChIKey is IXEBGZZLTNUBDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15FN4O2/c1-28-20-12(6-3-9-24-20)16-14(22)8-7-13-18(23)17-15(25-19(13)16)10-26(21(17)27)11-4-2-5-11/h2-9H,10H2,1H3,(H2,23,25).
What are the key properties of 9-amino-2-(cyclobutadienyl)-6-fluoro-5-(2-methoxy-3-pyridinyl)-3H-pyrrolo[3,4-b]quinolin-1-one?
9-amino-2-(cyclobutadienyl)-6-fluoro-5-(2-methoxy-3-pyridinyl)-3H-pyrrolo[3,4-b]quinolin-1-one has a molecular weight of 374.38 g/mol, XLogP of 3.44, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-amino-2-(cyclobutadienyl)-6-fluoro-5-(2-methoxy-3-pyridinyl)-3H-pyrrolo[3,4-b]quinolin-1-one is sourced from PubChem (CID 67485780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).