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

C21H16FN3O3 — CID 171347253

IUPAC9-cyclopropyl-4-fluoro-2-(4-methylphenyl)-6-oxo-1H-imidazo[4,5-h]quinoline-7-carboxylic acid
SMILESCc1ccc(-c2nc3c(F)cc4c(=O)c(C(=O)O)cn(C5CC5)c4c3[nH]2)cc1
InChIInChI=1S/C21H16FN3O3/c1-10-2-4-11(5-3-10)20-23-16-15(22)8-13-18(17(16)24-20)25(12-6-7-12)9-14(19(13)26)21(27)28/h2-5,8-9,12H,6-7H2,1H3,(H,23,24)(H,27,28)
InChIKeyZVQWQZIOMVZBGP-UHFFFAOYSA-N
MW377.38 g/mol
LogP4.03
Rot. Bonds3

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

9-cyclopropyl-4-fluoro-2-(4-methylphenyl)-6-oxo-1H-imidazo[4,5-h]quinoline-7-carboxylic acid (PubChem CID 171347253) has the molecular formula C21H16FN3O3 and a molecular weight of 377.38 g/mol. Its IUPAC name is 9-cyclopropyl-4-fluoro-2-(4-methylphenyl)-6-oxo-1H-imidazo[4,5-h]quinoline-7-carboxylic acid.

Molecular Properties

Compound Name9-cyclopropyl-4-fluoro-2-(4-methylphenyl)-6-oxo-1H-imidazo[4,5-h]quinoline-7-carboxylic acid
PubChem CID171347253
Molecular FormulaC21H16FN3O3
Molecular Weight377.38 g/mol
Exact Mass377.12
IUPAC Name9-cyclopropyl-4-fluoro-2-(4-methylphenyl)-6-oxo-1H-imidazo[4,5-h]quinoline-7-carboxylic acid
SMILESCc1ccc(-c2nc3c(F)cc4c(=O)c(C(=O)O)cn(C5CC5)c4c3[nH]2)cc1
InChIInChI=1S/C21H16FN3O3/c1-10-2-4-11(5-3-10)20-23-16-15(22)8-13-18(17(16)24-20)25(12-6-7-12)9-14(19(13)26)21(27)28/h2-5,8-9,12H,6-7H2,1H3,(H,23,24)(H,27,28)
InChIKeyZVQWQZIOMVZBGP-UHFFFAOYSA-N
XLogP4.03
TPSA87.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.38
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 9-cyclopropyl-4-fluoro-2-(4-methylphenyl)-6-oxo-1H-imidazo[4,5-h]quinoline-7-carboxylic acid?
The IUPAC name of 9-cyclopropyl-4-fluoro-2-(4-methylphenyl)-6-oxo-1H-imidazo[4,5-h]quinoline-7-carboxylic acid (CID 171347253) is 9-cyclopropyl-4-fluoro-2-(4-methylphenyl)-6-oxo-1H-imidazo[4,5-h]quinoline-7-carboxylic acid.
What is the SMILES notation for 9-cyclopropyl-4-fluoro-2-(4-methylphenyl)-6-oxo-1H-imidazo[4,5-h]quinoline-7-carboxylic acid?
The canonical SMILES for 9-cyclopropyl-4-fluoro-2-(4-methylphenyl)-6-oxo-1H-imidazo[4,5-h]quinoline-7-carboxylic acid is Cc1ccc(-c2nc3c(F)cc4c(=O)c(C(=O)O)cn(C5CC5)c4c3[nH]2)cc1.
What is the InChIKey of 9-cyclopropyl-4-fluoro-2-(4-methylphenyl)-6-oxo-1H-imidazo[4,5-h]quinoline-7-carboxylic acid?
The InChIKey is ZVQWQZIOMVZBGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16FN3O3/c1-10-2-4-11(5-3-10)20-23-16-15(22)8-13-18(17(16)24-20)25(12-6-7-12)9-14(19(13)26)21(27)28/h2-5,8-9,12H,6-7H2,1H3,(H,23,24)(H,27,28).
What are the key properties of 9-cyclopropyl-4-fluoro-2-(4-methylphenyl)-6-oxo-1H-imidazo[4,5-h]quinoline-7-carboxylic acid?
9-cyclopropyl-4-fluoro-2-(4-methylphenyl)-6-oxo-1H-imidazo[4,5-h]quinoline-7-carboxylic acid has a molecular weight of 377.38 g/mol, XLogP of 4.03, 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-2-(4-methylphenyl)-6-oxo-1H-imidazo[4,5-h]quinoline-7-carboxylic acid is sourced from PubChem (CID 171347253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).