6-fluoro-N-(4-fluorophenyl)-1-methyl-4-oxoquinoline-3-carboxamide

C17H12F2N2O2 — CID 30133220

IUPAC6-fluoro-N-(4-fluorophenyl)-1-methyl-4-oxoquinoline-3-carboxamide
SMILESCn1cc(C(=O)Nc2ccc(F)cc2)c(=O)c2cc(F)ccc21
InChIInChI=1S/C17H12F2N2O2/c1-21-9-14(16(22)13-8-11(19)4-7-15(13)21)17(23)20-12-5-2-10(18)3-6-12/h2-9H,1H3,(H,20,23)
InChIKeyOZIQDHXYJLQROE-UHFFFAOYSA-N
MW314.29 g/mol
LogP3.07
Rot. Bonds2

About 6-fluoro-N-(4-fluorophenyl)-1-methyl-4-oxoquinoline-3-carboxamide

6-fluoro-N-(4-fluorophenyl)-1-methyl-4-oxoquinoline-3-carboxamide (PubChem CID 30133220) has the molecular formula C17H12F2N2O2 and a molecular weight of 314.29 g/mol. Its IUPAC name is 6-fluoro-N-(4-fluorophenyl)-1-methyl-4-oxoquinoline-3-carboxamide.

Molecular Properties

Compound Name6-fluoro-N-(4-fluorophenyl)-1-methyl-4-oxoquinoline-3-carboxamide
PubChem CID30133220
Molecular FormulaC17H12F2N2O2
Molecular Weight314.29 g/mol
Exact Mass314.09
IUPAC Name6-fluoro-N-(4-fluorophenyl)-1-methyl-4-oxoquinoline-3-carboxamide
SMILESCn1cc(C(=O)Nc2ccc(F)cc2)c(=O)c2cc(F)ccc21
InChIInChI=1S/C17H12F2N2O2/c1-21-9-14(16(22)13-8-11(19)4-7-15(13)21)17(23)20-12-5-2-10(18)3-6-12/h2-9H,1H3,(H,20,23)
InChIKeyOZIQDHXYJLQROE-UHFFFAOYSA-N
XLogP3.07
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.29
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-chloro-2-methylphenyl)-6-fluoro-1-methyl-4-oxoquinoline-3-carboxamide
CID 30133240
6-fluoro-N-(2-methoxyethyl)-1-methyl-4-oxoquinoline-3-carboxamide
CID 30133154
8-chloro-N-(4-fluorophenyl)-1-methyl-4-oxoquinoline-3-carboxamide
CID 43831923
6-ethoxy-1-methyl-N-(4-methylphenyl)-4-oxoquinoline-3-carboxamide
CID 30133873
ethyl 4-[(1-ethyl-6-fluoro-4-oxoquinoline-3-carbonyl)amino]benzoate
CID 39850939
6-fluoro-1-methyl-4-oxo-N-[(2R)-4-phenylbutan-2-yl]quinoline-3-carboxamide
CID 30133417
6-ethoxy-1-methyl-4-oxo-N-phenylquinoline-3-carboxamide
CID 30133870
6-ethoxy-1-methyl-4-oxo-N-(4-propan-2-ylphenyl)quinoline-3-carboxamide
CID 30133888
6-fluoro-N-(4-fluorophenyl)-4-oxo-1H-quinoline-3-carboxamide
CID 39849776
N-(4-acetamidophenyl)-1-acetyl-5-fluoroindole-3-carboxamide
CID 113212468
6-fluoro-1-methyl-3-(morpholine-4-carbonyl)quinolin-4-one
CID 30133338
N-[2-(cyclohexen-1-yl)ethyl]-6-fluoro-1-methyl-4-oxoquinoline-3-carboxamide
CID 30133148

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-(4-fluorophenyl)-1-methyl-4-oxoquinoline-3-carboxamide?
The IUPAC name of 6-fluoro-N-(4-fluorophenyl)-1-methyl-4-oxoquinoline-3-carboxamide (CID 30133220) is 6-fluoro-N-(4-fluorophenyl)-1-methyl-4-oxoquinoline-3-carboxamide.
What is the SMILES notation for 6-fluoro-N-(4-fluorophenyl)-1-methyl-4-oxoquinoline-3-carboxamide?
The canonical SMILES for 6-fluoro-N-(4-fluorophenyl)-1-methyl-4-oxoquinoline-3-carboxamide is Cn1cc(C(=O)Nc2ccc(F)cc2)c(=O)c2cc(F)ccc21.
What is the InChIKey of 6-fluoro-N-(4-fluorophenyl)-1-methyl-4-oxoquinoline-3-carboxamide?
The InChIKey is OZIQDHXYJLQROE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F2N2O2/c1-21-9-14(16(22)13-8-11(19)4-7-15(13)21)17(23)20-12-5-2-10(18)3-6-12/h2-9H,1H3,(H,20,23).
What are the key properties of 6-fluoro-N-(4-fluorophenyl)-1-methyl-4-oxoquinoline-3-carboxamide?
6-fluoro-N-(4-fluorophenyl)-1-methyl-4-oxoquinoline-3-carboxamide has a molecular weight of 314.29 g/mol, XLogP of 3.07, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-(4-fluorophenyl)-1-methyl-4-oxoquinoline-3-carboxamide is sourced from PubChem (CID 30133220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).