7-chloro-6-fluoro-8-[(4-fluorophenyl)methyl]-4-oxo-1H-quinoline-3-carboxylic acid

C17H10ClF2NO3 — CID 69129184

IUPAC7-chloro-6-fluoro-8-[(4-fluorophenyl)methyl]-4-oxo-1H-quinoline-3-carboxylic acid
SMILESO=C(O)c1c[nH]c2c(Cc3ccc(F)cc3)c(Cl)c(F)cc2c1=O
InChIInChI=1S/C17H10ClF2NO3/c18-14-10(5-8-1-3-9(19)4-2-8)15-11(6-13(14)20)16(22)12(7-21-15)17(23)24/h1-4,6-7H,5H2,(H,21,22)(H,23,24)
InChIKeyJVEPIQVXSBRIDI-UHFFFAOYSA-N
MW349.72 g/mol
LogP3.75
Rot. Bonds3

About 7-chloro-6-fluoro-8-[(4-fluorophenyl)methyl]-4-oxo-1H-quinoline-3-carboxylic acid

7-chloro-6-fluoro-8-[(4-fluorophenyl)methyl]-4-oxo-1H-quinoline-3-carboxylic acid (PubChem CID 69129184) has the molecular formula C17H10ClF2NO3 and a molecular weight of 349.72 g/mol. Its IUPAC name is 7-chloro-6-fluoro-8-[(4-fluorophenyl)methyl]-4-oxo-1H-quinoline-3-carboxylic acid.

Molecular Properties

Compound Name7-chloro-6-fluoro-8-[(4-fluorophenyl)methyl]-4-oxo-1H-quinoline-3-carboxylic acid
PubChem CID69129184
Molecular FormulaC17H10ClF2NO3
Molecular Weight349.72 g/mol
Exact Mass349.03
IUPAC Name7-chloro-6-fluoro-8-[(4-fluorophenyl)methyl]-4-oxo-1H-quinoline-3-carboxylic acid
SMILESO=C(O)c1c[nH]c2c(Cc3ccc(F)cc3)c(Cl)c(F)cc2c1=O
InChIInChI=1S/C17H10ClF2NO3/c18-14-10(5-8-1-3-9(19)4-2-8)15-11(6-13(14)20)16(22)12(7-21-15)17(23)24/h1-4,6-7H,5H2,(H,21,22)(H,23,24)
InChIKeyJVEPIQVXSBRIDI-UHFFFAOYSA-N
XLogP3.75
TPSA70.16 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.72
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-6-fluoro-8-[(4-fluorophenyl)methyl]-4-oxo-1H-quinoline-3-carboxylic acid?
The IUPAC name of 7-chloro-6-fluoro-8-[(4-fluorophenyl)methyl]-4-oxo-1H-quinoline-3-carboxylic acid (CID 69129184) is 7-chloro-6-fluoro-8-[(4-fluorophenyl)methyl]-4-oxo-1H-quinoline-3-carboxylic acid.
What is the SMILES notation for 7-chloro-6-fluoro-8-[(4-fluorophenyl)methyl]-4-oxo-1H-quinoline-3-carboxylic acid?
The canonical SMILES for 7-chloro-6-fluoro-8-[(4-fluorophenyl)methyl]-4-oxo-1H-quinoline-3-carboxylic acid is O=C(O)c1c[nH]c2c(Cc3ccc(F)cc3)c(Cl)c(F)cc2c1=O.
What is the InChIKey of 7-chloro-6-fluoro-8-[(4-fluorophenyl)methyl]-4-oxo-1H-quinoline-3-carboxylic acid?
The InChIKey is JVEPIQVXSBRIDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10ClF2NO3/c18-14-10(5-8-1-3-9(19)4-2-8)15-11(6-13(14)20)16(22)12(7-21-15)17(23)24/h1-4,6-7H,5H2,(H,21,22)(H,23,24).
What are the key properties of 7-chloro-6-fluoro-8-[(4-fluorophenyl)methyl]-4-oxo-1H-quinoline-3-carboxylic acid?
7-chloro-6-fluoro-8-[(4-fluorophenyl)methyl]-4-oxo-1H-quinoline-3-carboxylic acid has a molecular weight of 349.72 g/mol, XLogP of 3.75, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-6-fluoro-8-[(4-fluorophenyl)methyl]-4-oxo-1H-quinoline-3-carboxylic acid is sourced from PubChem (CID 69129184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).