6-bromo-N-methyl-4-oxo-N-phenyl-1H-quinoline-3-carboxamide

C17H13BrN2O2 — CID 141109801

IUPAC6-bromo-N-methyl-4-oxo-N-phenyl-1H-quinoline-3-carboxamide
SMILESCN(C(=O)c1c[nH]c2ccc(Br)cc2c1=O)c1ccccc1
InChIInChI=1S/C17H13BrN2O2/c1-20(12-5-3-2-4-6-12)17(22)14-10-19-15-8-7-11(18)9-13(15)16(14)21/h2-10H,1H3,(H,19,21)
InChIKeyLDZLISFCFRCFJK-UHFFFAOYSA-N
MW357.21 g/mol
LogP3.57
Rot. Bonds2

About 6-bromo-N-methyl-4-oxo-N-phenyl-1H-quinoline-3-carboxamide

6-bromo-N-methyl-4-oxo-N-phenyl-1H-quinoline-3-carboxamide (PubChem CID 141109801) has the molecular formula C17H13BrN2O2 and a molecular weight of 357.21 g/mol. Its IUPAC name is 6-bromo-N-methyl-4-oxo-N-phenyl-1H-quinoline-3-carboxamide.

Molecular Properties

Compound Name6-bromo-N-methyl-4-oxo-N-phenyl-1H-quinoline-3-carboxamide
PubChem CID141109801
Molecular FormulaC17H13BrN2O2
Molecular Weight357.21 g/mol
Exact Mass356.02
IUPAC Name6-bromo-N-methyl-4-oxo-N-phenyl-1H-quinoline-3-carboxamide
SMILESCN(C(=O)c1c[nH]c2ccc(Br)cc2c1=O)c1ccccc1
InChIInChI=1S/C17H13BrN2O2/c1-20(12-5-3-2-4-6-12)17(22)14-10-19-15-8-7-11(18)9-13(15)16(14)21/h2-10H,1H3,(H,19,21)
InChIKeyLDZLISFCFRCFJK-UHFFFAOYSA-N
XLogP3.57
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.21
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-bromo-4-oxo-1H-quinoline-3-carbonyl chloride
CID 172682995
5-bromo-N,N-dimethyl-1H-indole-3-carboxamide
CID 22934720
6-bromo-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide
CID 86789154
6-bromo-4-oxo-1H-quinoline-3-carboxylic acid;6-bromo-1H-quinolin-4-one
CID 159311769
5-bromo-2-[[5-bromo-3-[methyl(phenyl)carbamoyl]-1H-indol-2-yl]disulfanyl]-N-methyl-N-phenyl-1H-indole-3-carboxamide
CID 57198621
1,2-bis(5-bromo-1H-indol-3-yl)ethane-1,2-dione
CID 69439956
2-(5-bromo-1H-indole-3-carbonyl)benzoic acid
CID 43329854
2-acetamido-4-bromo-N-methyl-N-phenylbenzamide
CID 141352408
6-bromo-N-(3-(18F)fluoropropyl)-4-oxo-1H-quinoline-3-carboxamide
CID 25235213
4,5,6-trimethoxy-N-methyl-N-phenyl-1H-indole-3-carboxamide
CID 113206778
5-bromo-N-methyl-1H-indole-3-carboxamide
CID 142746507
(5-bromo-1H-indol-3-yl)-(1-phenylcyclopropyl)methanone
CID 63491819

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-methyl-4-oxo-N-phenyl-1H-quinoline-3-carboxamide?
The IUPAC name of 6-bromo-N-methyl-4-oxo-N-phenyl-1H-quinoline-3-carboxamide (CID 141109801) is 6-bromo-N-methyl-4-oxo-N-phenyl-1H-quinoline-3-carboxamide.
What is the SMILES notation for 6-bromo-N-methyl-4-oxo-N-phenyl-1H-quinoline-3-carboxamide?
The canonical SMILES for 6-bromo-N-methyl-4-oxo-N-phenyl-1H-quinoline-3-carboxamide is CN(C(=O)c1c[nH]c2ccc(Br)cc2c1=O)c1ccccc1.
What is the InChIKey of 6-bromo-N-methyl-4-oxo-N-phenyl-1H-quinoline-3-carboxamide?
The InChIKey is LDZLISFCFRCFJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13BrN2O2/c1-20(12-5-3-2-4-6-12)17(22)14-10-19-15-8-7-11(18)9-13(15)16(14)21/h2-10H,1H3,(H,19,21).
What are the key properties of 6-bromo-N-methyl-4-oxo-N-phenyl-1H-quinoline-3-carboxamide?
6-bromo-N-methyl-4-oxo-N-phenyl-1H-quinoline-3-carboxamide has a molecular weight of 357.21 g/mol, XLogP of 3.57, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-methyl-4-oxo-N-phenyl-1H-quinoline-3-carboxamide is sourced from PubChem (CID 141109801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).