N-(3-bromophenyl)-6-fluoro-4-oxo-1H-quinoline-3-carboxamide

C16H10BrFN2O2 — CID 39849718

IUPACN-(3-bromophenyl)-6-fluoro-4-oxo-1H-quinoline-3-carboxamide
SMILESO=C(Nc1cccc(Br)c1)c1c[nH]c2ccc(F)cc2c1=O
InChIInChI=1S/C16H10BrFN2O2/c17-9-2-1-3-11(6-9)20-16(22)13-8-19-14-5-4-10(18)7-12(14)15(13)21/h1-8H,(H,19,21)(H,20,22)
InChIKeyKPJHYVDWHAZOSH-UHFFFAOYSA-N
MW361.17 g/mol
LogP3.68
Rot. Bonds2

About N-(3-bromophenyl)-6-fluoro-4-oxo-1H-quinoline-3-carboxamide

N-(3-bromophenyl)-6-fluoro-4-oxo-1H-quinoline-3-carboxamide (PubChem CID 39849718) has the molecular formula C16H10BrFN2O2 and a molecular weight of 361.17 g/mol. Its IUPAC name is N-(3-bromophenyl)-6-fluoro-4-oxo-1H-quinoline-3-carboxamide.

Molecular Properties

Compound NameN-(3-bromophenyl)-6-fluoro-4-oxo-1H-quinoline-3-carboxamide
PubChem CID39849718
Molecular FormulaC16H10BrFN2O2
Molecular Weight361.17 g/mol
Exact Mass359.99
IUPAC NameN-(3-bromophenyl)-6-fluoro-4-oxo-1H-quinoline-3-carboxamide
SMILESO=C(Nc1cccc(Br)c1)c1c[nH]c2ccc(F)cc2c1=O
InChIInChI=1S/C16H10BrFN2O2/c17-9-2-1-3-11(6-9)20-16(22)13-8-19-14-5-4-10(18)7-12(14)15(13)21/h1-8H,(H,19,21)(H,20,22)
InChIKeyKPJHYVDWHAZOSH-UHFFFAOYSA-N
XLogP3.68
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.17
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-chlorophenyl)-6-fluoro-4-oxo-1H-quinoline-3-carboxamide
CID 39849727
6-fluoro-N-(4-fluorophenyl)-4-oxo-1H-quinoline-3-carboxamide
CID 39849776
N-(4-acetylphenyl)-6-fluoro-4-oxo-1H-quinoline-3-carboxamide
CID 39849741
N-(2,4-difluorophenyl)-6-fluoro-4-oxo-1H-quinoline-3-carboxamide
CID 39849781
methyl 3-[(5-fluoro-1H-indole-3-carbonyl)amino]benzoate
CID 113205725
N-(3-bromophenyl)-8-methoxy-4-oxo-1H-quinoline-3-carboxamide
CID 43831968
N-[2-(3-bromoanilino)-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide
CID 55753979
N-(3-bromophenyl)-7-methyl-4-oxo-1H-1,8-naphthyridine-3-carboxamide
CID 112707523
3-[(4-oxo-1H-quinoline-3-carbonyl)amino]benzoic acid
CID 679194
6-chloro-N-(3,5-difluorophenyl)-4-oxo-1H-quinoline-3-carboxamide
CID 17016539
6-amino-N-(3-bromophenyl)-1H-indole-3-carboxamide
CID 61092255
N-(3-bromophenyl)-2-chloro-4-fluorobenzamide
CID 24699810

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-6-fluoro-4-oxo-1H-quinoline-3-carboxamide?
The IUPAC name of N-(3-bromophenyl)-6-fluoro-4-oxo-1H-quinoline-3-carboxamide (CID 39849718) is N-(3-bromophenyl)-6-fluoro-4-oxo-1H-quinoline-3-carboxamide.
What is the SMILES notation for N-(3-bromophenyl)-6-fluoro-4-oxo-1H-quinoline-3-carboxamide?
The canonical SMILES for N-(3-bromophenyl)-6-fluoro-4-oxo-1H-quinoline-3-carboxamide is O=C(Nc1cccc(Br)c1)c1c[nH]c2ccc(F)cc2c1=O.
What is the InChIKey of N-(3-bromophenyl)-6-fluoro-4-oxo-1H-quinoline-3-carboxamide?
The InChIKey is KPJHYVDWHAZOSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10BrFN2O2/c17-9-2-1-3-11(6-9)20-16(22)13-8-19-14-5-4-10(18)7-12(14)15(13)21/h1-8H,(H,19,21)(H,20,22).
What are the key properties of N-(3-bromophenyl)-6-fluoro-4-oxo-1H-quinoline-3-carboxamide?
N-(3-bromophenyl)-6-fluoro-4-oxo-1H-quinoline-3-carboxamide has a molecular weight of 361.17 g/mol, XLogP of 3.68, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-6-fluoro-4-oxo-1H-quinoline-3-carboxamide is sourced from PubChem (CID 39849718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).