9-cyclopropyl-4-fluoro-2-(furan-3-yl)-6-oxo-1H-imidazo[4,5-h]quinoline-7-carboxylic acid

C18H12FN3O4 — CID 122397553

IUPAC9-cyclopropyl-4-fluoro-2-(furan-3-yl)-6-oxo-1H-imidazo[4,5-h]quinoline-7-carboxylic acid
SMILESO=C(O)c1cn(C2CC2)c2c(cc(F)c3nc(-c4ccoc4)[nH]c32)c1=O
InChIInChI=1S/C18H12FN3O4/c19-12-5-10-15(14-13(12)20-17(21-14)8-3-4-26-7-8)22(9-1-2-9)6-11(16(10)23)18(24)25/h3-7,9H,1-2H2,(H,20,21)(H,24,25)
InChIKeyCLNOILSHLJQHMD-UHFFFAOYSA-N
MW353.31 g/mol
LogP3.31
Rot. Bonds3

About 9-cyclopropyl-4-fluoro-2-(furan-3-yl)-6-oxo-1H-imidazo[4,5-h]quinoline-7-carboxylic acid

9-cyclopropyl-4-fluoro-2-(furan-3-yl)-6-oxo-1H-imidazo[4,5-h]quinoline-7-carboxylic acid (PubChem CID 122397553) has the molecular formula C18H12FN3O4 and a molecular weight of 353.31 g/mol. Its IUPAC name is 9-cyclopropyl-4-fluoro-2-(furan-3-yl)-6-oxo-1H-imidazo[4,5-h]quinoline-7-carboxylic acid.

Molecular Properties

Compound Name9-cyclopropyl-4-fluoro-2-(furan-3-yl)-6-oxo-1H-imidazo[4,5-h]quinoline-7-carboxylic acid
PubChem CID122397553
Molecular FormulaC18H12FN3O4
Molecular Weight353.31 g/mol
Exact Mass353.08
IUPAC Name9-cyclopropyl-4-fluoro-2-(furan-3-yl)-6-oxo-1H-imidazo[4,5-h]quinoline-7-carboxylic acid
SMILESO=C(O)c1cn(C2CC2)c2c(cc(F)c3nc(-c4ccoc4)[nH]c32)c1=O
InChIInChI=1S/C18H12FN3O4/c19-12-5-10-15(14-13(12)20-17(21-14)8-3-4-26-7-8)22(9-1-2-9)6-11(16(10)23)18(24)25/h3-7,9H,1-2H2,(H,20,21)(H,24,25)
InChIKeyCLNOILSHLJQHMD-UHFFFAOYSA-N
XLogP3.31
TPSA101.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.31
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 9-cyclopropyl-4-fluoro-2-(furan-3-yl)-6-oxo-1H-imidazo[4,5-h]quinoline-7-carboxylic acid with MolForge

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Launch Full Analysis

Related Compounds

1-cyclopropyl-6,9-difluoro-4-oxo-11H-pyrido[2,3-a]carbazole-3-carboxylic acid
CID 46927955
1-cyclopropyl-6,8-difluoro-7-hydroxy-4-oxoquinoline-3-carboxylic acid
CID 15636877
1-cyclopropyl-6-fluoro-4-oxo-7-pyrrol-1-yl-1,8-naphthyridine-3-carboxylic acid
CID 70462520
10-cyclopropyl-5-fluoro-2,7-dioxo-3-phenyl-3,4-dihydro-1H-pyrido[2,3-f]quinoxaline-8-carboxylic acid
CID 11988581
7-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-cyclopropyl-6,8-difluoro-4-oxoquinoline-3-carboxylic acid
CID 143715301
1-cyclopropyl-7-[(2S,3S)-2-ethyl-3-hydroxyazetidin-1-yl]-6,8-difluoro-4-oxoquinoline-3-carboxylic acid
CID 10090157
1-cyclopentyl-6,8-difluoro-4-oxoquinoline-3-carboxylic acid
CID 82251132
boric acid;1-cyclopropyl-6,7-difluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid
CID 66924300
7-(2-amino-2-oxoethyl)-1-cyclopropyl-6,8-difluoro-4-oxoquinoline-3-carboxylic acid
CID 14422912
1-cyclopropyl-6,8-difluoro-7-(4-methylimidazol-1-yl)-4-oxoquinoline-3-carboxylic acid
CID 14476717
(3R)-10-cyclopropyl-5-fluoro-3-methyl-2,7-dioxo-1H-pyrido[2,3-f][1,4]benzothiazine-8-carboxylic acid
CID 102155134
1-cyclopropyl-6,8-difluoro-4-oxo-7-pyridin-4-ylsulfanylquinoline-3-carboxylic acid
CID 14554998

Frequently Asked Questions

What is the IUPAC name of 9-cyclopropyl-4-fluoro-2-(furan-3-yl)-6-oxo-1H-imidazo[4,5-h]quinoline-7-carboxylic acid?
The IUPAC name of 9-cyclopropyl-4-fluoro-2-(furan-3-yl)-6-oxo-1H-imidazo[4,5-h]quinoline-7-carboxylic acid (CID 122397553) is 9-cyclopropyl-4-fluoro-2-(furan-3-yl)-6-oxo-1H-imidazo[4,5-h]quinoline-7-carboxylic acid.
What is the SMILES notation for 9-cyclopropyl-4-fluoro-2-(furan-3-yl)-6-oxo-1H-imidazo[4,5-h]quinoline-7-carboxylic acid?
The canonical SMILES for 9-cyclopropyl-4-fluoro-2-(furan-3-yl)-6-oxo-1H-imidazo[4,5-h]quinoline-7-carboxylic acid is O=C(O)c1cn(C2CC2)c2c(cc(F)c3nc(-c4ccoc4)[nH]c32)c1=O.
What is the InChIKey of 9-cyclopropyl-4-fluoro-2-(furan-3-yl)-6-oxo-1H-imidazo[4,5-h]quinoline-7-carboxylic acid?
The InChIKey is CLNOILSHLJQHMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12FN3O4/c19-12-5-10-15(14-13(12)20-17(21-14)8-3-4-26-7-8)22(9-1-2-9)6-11(16(10)23)18(24)25/h3-7,9H,1-2H2,(H,20,21)(H,24,25).
What are the key properties of 9-cyclopropyl-4-fluoro-2-(furan-3-yl)-6-oxo-1H-imidazo[4,5-h]quinoline-7-carboxylic acid?
9-cyclopropyl-4-fluoro-2-(furan-3-yl)-6-oxo-1H-imidazo[4,5-h]quinoline-7-carboxylic acid has a molecular weight of 353.31 g/mol, XLogP of 3.31, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-cyclopropyl-4-fluoro-2-(furan-3-yl)-6-oxo-1H-imidazo[4,5-h]quinoline-7-carboxylic acid is sourced from PubChem (CID 122397553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).