N-(4-bromo-3-methylphenyl)-4-oxo-1H-quinoline-3-carboxamide

C17H13BrN2O2 — CID 39896040

IUPACN-(4-bromo-3-methylphenyl)-4-oxo-1H-quinoline-3-carboxamide
SMILESCc1cc(NC(=O)c2c[nH]c3ccccc3c2=O)ccc1Br
InChIInChI=1S/C17H13BrN2O2/c1-10-8-11(6-7-14(10)18)20-17(22)13-9-19-15-5-3-2-4-12(15)16(13)21/h2-9H,1H3,(H,19,21)(H,20,22)
InChIKeyZAROODYIUXLEHY-UHFFFAOYSA-N
MW357.21 g/mol
LogP3.85
Rot. Bonds2

About N-(4-bromo-3-methylphenyl)-4-oxo-1H-quinoline-3-carboxamide

N-(4-bromo-3-methylphenyl)-4-oxo-1H-quinoline-3-carboxamide (PubChem CID 39896040) has the molecular formula C17H13BrN2O2 and a molecular weight of 357.21 g/mol. Its IUPAC name is N-(4-bromo-3-methylphenyl)-4-oxo-1H-quinoline-3-carboxamide.

Molecular Properties

Compound NameN-(4-bromo-3-methylphenyl)-4-oxo-1H-quinoline-3-carboxamide
PubChem CID39896040
Molecular FormulaC17H13BrN2O2
Molecular Weight357.21 g/mol
Exact Mass356.02
IUPAC NameN-(4-bromo-3-methylphenyl)-4-oxo-1H-quinoline-3-carboxamide
SMILESCc1cc(NC(=O)c2c[nH]c3ccccc3c2=O)ccc1Br
InChIInChI=1S/C17H13BrN2O2/c1-10-8-11(6-7-14(10)18)20-17(22)13-9-19-15-5-3-2-4-12(15)16(13)21/h2-9H,1H3,(H,19,21)(H,20,22)
InChIKeyZAROODYIUXLEHY-UHFFFAOYSA-N
XLogP3.85
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.21
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3,4-dimethylphenyl)-1H-indole-3-carboxamide
CID 43399217
N-(4-bromo-3-methylphenyl)-5-chloro-1H-indole-3-carboxamide
CID 113205923
N-[4-(dimethylamino)phenyl]-4-oxo-1H-quinoline-3-carboxamide
CID 13151201
3-[(4-oxo-1H-quinoline-3-carbonyl)amino]benzoic acid
CID 679194
2-bromo-N-(4-bromo-3-methylphenyl)benzamide
CID 2505928
N-(5-hydroxy-2-methylphenyl)-4-oxo-1H-quinoline-3-carboxamide
CID 169084828
N-(1H-indazol-5-yl)-4-oxo-1H-quinoline-3-carboxamide
CID 60543842
N-(3,5-dimethylphenyl)-1H-indole-3-carboxamide
CID 43399253
N-(1-acetylindol-6-yl)-4-oxo-1H-quinoline-3-carboxamide
CID 66674873
ethane;N-(2-methylphenyl)-4-oxo-1H-quinoline-3-carboxamide;propane
CID 90785095
N-(4-bromo-3-methylphenyl)-1H-indazole-3-carboxamide
CID 9069923
N-[2-(3-bromoanilino)-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide
CID 55753979

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-methylphenyl)-4-oxo-1H-quinoline-3-carboxamide?
The IUPAC name of N-(4-bromo-3-methylphenyl)-4-oxo-1H-quinoline-3-carboxamide (CID 39896040) is N-(4-bromo-3-methylphenyl)-4-oxo-1H-quinoline-3-carboxamide.
What is the SMILES notation for N-(4-bromo-3-methylphenyl)-4-oxo-1H-quinoline-3-carboxamide?
The canonical SMILES for N-(4-bromo-3-methylphenyl)-4-oxo-1H-quinoline-3-carboxamide is Cc1cc(NC(=O)c2c[nH]c3ccccc3c2=O)ccc1Br.
What is the InChIKey of N-(4-bromo-3-methylphenyl)-4-oxo-1H-quinoline-3-carboxamide?
The InChIKey is ZAROODYIUXLEHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13BrN2O2/c1-10-8-11(6-7-14(10)18)20-17(22)13-9-19-15-5-3-2-4-12(15)16(13)21/h2-9H,1H3,(H,19,21)(H,20,22).
What are the key properties of N-(4-bromo-3-methylphenyl)-4-oxo-1H-quinoline-3-carboxamide?
N-(4-bromo-3-methylphenyl)-4-oxo-1H-quinoline-3-carboxamide has a molecular weight of 357.21 g/mol, XLogP of 3.85, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3-methylphenyl)-4-oxo-1H-quinoline-3-carboxamide is sourced from PubChem (CID 39896040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).