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

C20H13ClFN3O3 — CID 171358080

IUPAC2-(4-chlorophenyl)-9-cyclopropyl-4-fluoro-6-oxo-1H-imidazo[4,5-h]quinoline-7-carboxylic acid
SMILESO=C(O)c1cn(C2CC2)c2c(cc(F)c3nc(-c4ccc(Cl)cc4)[nH]c32)c1=O
InChIInChI=1S/C20H13ClFN3O3/c21-10-3-1-9(2-4-10)19-23-15-14(22)7-12-17(16(15)24-19)25(11-5-6-11)8-13(18(12)26)20(27)28/h1-4,7-8,11H,5-6H2,(H,23,24)(H,27,28)
InChIKeyXLKOYUHGIYZMQJ-UHFFFAOYSA-N
MW397.79 g/mol
LogP4.37
Rot. Bonds3

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

2-(4-chlorophenyl)-9-cyclopropyl-4-fluoro-6-oxo-1H-imidazo[4,5-h]quinoline-7-carboxylic acid (PubChem CID 171358080) has the molecular formula C20H13ClFN3O3 and a molecular weight of 397.79 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-9-cyclopropyl-4-fluoro-6-oxo-1H-imidazo[4,5-h]quinoline-7-carboxylic acid.

Molecular Properties

Compound Name2-(4-chlorophenyl)-9-cyclopropyl-4-fluoro-6-oxo-1H-imidazo[4,5-h]quinoline-7-carboxylic acid
PubChem CID171358080
Molecular FormulaC20H13ClFN3O3
Molecular Weight397.79 g/mol
Exact Mass397.06
IUPAC Name2-(4-chlorophenyl)-9-cyclopropyl-4-fluoro-6-oxo-1H-imidazo[4,5-h]quinoline-7-carboxylic acid
SMILESO=C(O)c1cn(C2CC2)c2c(cc(F)c3nc(-c4ccc(Cl)cc4)[nH]c32)c1=O
InChIInChI=1S/C20H13ClFN3O3/c21-10-3-1-9(2-4-10)19-23-15-14(22)7-12-17(16(15)24-19)25(11-5-6-11)8-13(18(12)26)20(27)28/h1-4,7-8,11H,5-6H2,(H,23,24)(H,27,28)
InChIKeyXLKOYUHGIYZMQJ-UHFFFAOYSA-N
XLogP4.37
TPSA87.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.79
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-9-cyclopropyl-4-fluoro-6-oxo-1H-imidazo[4,5-h]quinoline-7-carboxylic acid?
The IUPAC name of 2-(4-chlorophenyl)-9-cyclopropyl-4-fluoro-6-oxo-1H-imidazo[4,5-h]quinoline-7-carboxylic acid (CID 171358080) is 2-(4-chlorophenyl)-9-cyclopropyl-4-fluoro-6-oxo-1H-imidazo[4,5-h]quinoline-7-carboxylic acid.
What is the SMILES notation for 2-(4-chlorophenyl)-9-cyclopropyl-4-fluoro-6-oxo-1H-imidazo[4,5-h]quinoline-7-carboxylic acid?
The canonical SMILES for 2-(4-chlorophenyl)-9-cyclopropyl-4-fluoro-6-oxo-1H-imidazo[4,5-h]quinoline-7-carboxylic acid is O=C(O)c1cn(C2CC2)c2c(cc(F)c3nc(-c4ccc(Cl)cc4)[nH]c32)c1=O.
What is the InChIKey of 2-(4-chlorophenyl)-9-cyclopropyl-4-fluoro-6-oxo-1H-imidazo[4,5-h]quinoline-7-carboxylic acid?
The InChIKey is XLKOYUHGIYZMQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13ClFN3O3/c21-10-3-1-9(2-4-10)19-23-15-14(22)7-12-17(16(15)24-19)25(11-5-6-11)8-13(18(12)26)20(27)28/h1-4,7-8,11H,5-6H2,(H,23,24)(H,27,28).
What are the key properties of 2-(4-chlorophenyl)-9-cyclopropyl-4-fluoro-6-oxo-1H-imidazo[4,5-h]quinoline-7-carboxylic acid?
2-(4-chlorophenyl)-9-cyclopropyl-4-fluoro-6-oxo-1H-imidazo[4,5-h]quinoline-7-carboxylic acid has a molecular weight of 397.79 g/mol, XLogP of 4.37, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-9-cyclopropyl-4-fluoro-6-oxo-1H-imidazo[4,5-h]quinoline-7-carboxylic acid is sourced from PubChem (CID 171358080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).