9-cyclopropyl-4-fluoro-6-oxo-2-phenyl-1H-imidazo[4,5-h]quinoline-7-carboxylic acid

C20H14FN3O3 — CID 171344996

IUPAC9-cyclopropyl-4-fluoro-6-oxo-2-phenyl-1H-imidazo[4,5-h]quinoline-7-carboxylic acid
SMILESO=C(O)c1cn(C2CC2)c2c(cc(F)c3nc(-c4ccccc4)[nH]c32)c1=O
InChIInChI=1S/C20H14FN3O3/c21-14-8-12-17(24(11-6-7-11)9-13(18(12)25)20(26)27)16-15(14)22-19(23-16)10-4-2-1-3-5-10/h1-5,8-9,11H,6-7H2,(H,22,23)(H,26,27)
InChIKeySUQJETBJISEAJL-UHFFFAOYSA-N
MW363.35 g/mol
LogP3.72
Rot. Bonds3

About 9-cyclopropyl-4-fluoro-6-oxo-2-phenyl-1H-imidazo[4,5-h]quinoline-7-carboxylic acid

9-cyclopropyl-4-fluoro-6-oxo-2-phenyl-1H-imidazo[4,5-h]quinoline-7-carboxylic acid (PubChem CID 171344996) has the molecular formula C20H14FN3O3 and a molecular weight of 363.35 g/mol. Its IUPAC name is 9-cyclopropyl-4-fluoro-6-oxo-2-phenyl-1H-imidazo[4,5-h]quinoline-7-carboxylic acid.

Molecular Properties

Compound Name9-cyclopropyl-4-fluoro-6-oxo-2-phenyl-1H-imidazo[4,5-h]quinoline-7-carboxylic acid
PubChem CID171344996
Molecular FormulaC20H14FN3O3
Molecular Weight363.35 g/mol
Exact Mass363.10
IUPAC Name9-cyclopropyl-4-fluoro-6-oxo-2-phenyl-1H-imidazo[4,5-h]quinoline-7-carboxylic acid
SMILESO=C(O)c1cn(C2CC2)c2c(cc(F)c3nc(-c4ccccc4)[nH]c32)c1=O
InChIInChI=1S/C20H14FN3O3/c21-14-8-12-17(24(11-6-7-11)9-13(18(12)25)20(26)27)16-15(14)22-19(23-16)10-4-2-1-3-5-10/h1-5,8-9,11H,6-7H2,(H,22,23)(H,26,27)
InChIKeySUQJETBJISEAJL-UHFFFAOYSA-N
XLogP3.72
TPSA87.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.35
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[4-(Benzimidazol-1-yl)phenyl]methyl]-5-fluoro-4-oxoquinoline-3-carboxylic acid
CID 46233061
9-Cyclopropyl-4-fluoro-6-oxo-6,9-dihydro-1h-imidazo[4,5-h]quinoline-7-carboxylic
CID 129837588
9-Cyclopropyl-2-(4-fluorophenyl)-4-fluoro-6-oxo-6,9-dihydro-1h-imidazo [4,5-h]quinoline-7-carboxylic acid
CID 129837598
9-cyclopropyl-4-fluoro-2-(4-methylphenyl)-6-oxo-1H-imidazo[4,5-h]quinoline-7-carboxylic acid
CID 171347253
2-(4-chlorophenyl)-9-cyclopropyl-4-fluoro-6-oxo-1H-imidazo[4,5-h]quinoline-7-carboxylic acid
CID 171358080
4-(3-aminopyrrolidin-1-yl)-6-cyclopropyl-5-fluoro-9-oxo-3H-imidazo[4,5-f]quinoline-8-carboxylic acid
CID 10067799
6-cyclopropyl-5-fluoro-4-(4-methylpiperazin-1-yl)-9-oxo-3H-imidazo[4,5-f]quinoline-8-carboxylic acid
CID 10452661
1-Ethyl-6-fluoro-7-[4-[[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]methyl]piperazin-1-yl]-4-oxoquinoline-3-carboxylic acid
CID 127025708
1-Ethyl-6-fluoro-4-oxo-7-[4-[(1-pentylbenzimidazol-2-yl)methyl]piperazin-1-yl]quinoline-3-carboxylic acid
CID 127025984
1-Cyclopropyl-6-fluoro-1,4-dihydro-7-(4-((5-nitro-1h-benzo[d]imidazol-2-yl)methyl)piperazin-1-yl)-4-oxoquinoline-3-carboxylic acid
CID 127026598
7-(4-((1h-Benzo[d]imidazol-2-yl)methyl)piperazin-1-yl)-1-ethyl-6-fluoro-1,4-dihydro-4-oxoquinoline-3-carboxylic acid
CID 127026892
7-[4-(1H-benzimidazol-2-ylmethyl)piperazin-1-yl]-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid
CID 127027191

Frequently Asked Questions

What is the IUPAC name of 9-cyclopropyl-4-fluoro-6-oxo-2-phenyl-1H-imidazo[4,5-h]quinoline-7-carboxylic acid?
The IUPAC name of 9-cyclopropyl-4-fluoro-6-oxo-2-phenyl-1H-imidazo[4,5-h]quinoline-7-carboxylic acid (CID 171344996) is 9-cyclopropyl-4-fluoro-6-oxo-2-phenyl-1H-imidazo[4,5-h]quinoline-7-carboxylic acid.
What is the SMILES notation for 9-cyclopropyl-4-fluoro-6-oxo-2-phenyl-1H-imidazo[4,5-h]quinoline-7-carboxylic acid?
The canonical SMILES for 9-cyclopropyl-4-fluoro-6-oxo-2-phenyl-1H-imidazo[4,5-h]quinoline-7-carboxylic acid is O=C(O)c1cn(C2CC2)c2c(cc(F)c3nc(-c4ccccc4)[nH]c32)c1=O.
What is the InChIKey of 9-cyclopropyl-4-fluoro-6-oxo-2-phenyl-1H-imidazo[4,5-h]quinoline-7-carboxylic acid?
The InChIKey is SUQJETBJISEAJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14FN3O3/c21-14-8-12-17(24(11-6-7-11)9-13(18(12)25)20(26)27)16-15(14)22-19(23-16)10-4-2-1-3-5-10/h1-5,8-9,11H,6-7H2,(H,22,23)(H,26,27).
What are the key properties of 9-cyclopropyl-4-fluoro-6-oxo-2-phenyl-1H-imidazo[4,5-h]quinoline-7-carboxylic acid?
9-cyclopropyl-4-fluoro-6-oxo-2-phenyl-1H-imidazo[4,5-h]quinoline-7-carboxylic acid has a molecular weight of 363.35 g/mol, XLogP of 3.72, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-cyclopropyl-4-fluoro-6-oxo-2-phenyl-1H-imidazo[4,5-h]quinoline-7-carboxylic acid is sourced from PubChem (CID 171344996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).