N-(2-bromo-4-methylphenyl)-2-oxo-1H-quinoline-4-carboxamide

C17H13BrN2O2 — CID 7545590

IUPACN-(2-bromo-4-methylphenyl)-2-oxo-1H-quinoline-4-carboxamide
SMILESCc1ccc(NC(=O)c2cc(=O)[nH]c3ccccc23)c(Br)c1
InChIInChI=1S/C17H13BrN2O2/c1-10-6-7-15(13(18)8-10)20-17(22)12-9-16(21)19-14-5-3-2-4-11(12)14/h2-9H,1H3,(H,19,21)(H,20,22)
InChIKeyBQKABVZIASKMSN-UHFFFAOYSA-N
MW357.21 g/mol
LogP3.85
Rot. Bonds2

About N-(2-bromo-4-methylphenyl)-2-oxo-1H-quinoline-4-carboxamide

N-(2-bromo-4-methylphenyl)-2-oxo-1H-quinoline-4-carboxamide (PubChem CID 7545590) has the molecular formula C17H13BrN2O2 and a molecular weight of 357.21 g/mol. Its IUPAC name is N-(2-bromo-4-methylphenyl)-2-oxo-1H-quinoline-4-carboxamide.

Molecular Properties

Compound NameN-(2-bromo-4-methylphenyl)-2-oxo-1H-quinoline-4-carboxamide
PubChem CID7545590
Molecular FormulaC17H13BrN2O2
Molecular Weight357.21 g/mol
Exact Mass356.02
IUPAC NameN-(2-bromo-4-methylphenyl)-2-oxo-1H-quinoline-4-carboxamide
SMILESCc1ccc(NC(=O)c2cc(=O)[nH]c3ccccc23)c(Br)c1
InChIInChI=1S/C17H13BrN2O2/c1-10-6-7-15(13(18)8-10)20-17(22)12-9-16(21)19-14-5-3-2-4-11(12)14/h2-9H,1H3,(H,19,21)(H,20,22)
InChIKeyBQKABVZIASKMSN-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-(2-ethylphenyl)-2-oxo-1H-quinoline-4-carboxamide
CID 6456887
N-(2-methoxyphenyl)-2-oxo-1H-quinoline-4-carboxamide
CID 917217
N-(3-methylbutan-2-yl)-2-oxo-1H-quinoline-4-carboxamide
CID 75409323
2-oxo-N-(2-phenylphenyl)-1H-quinoline-4-carboxamide
CID 2540380
N-(2,5-difluorophenyl)-2-oxo-1H-quinoline-4-carboxamide
CID 7901301
N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-oxo-1H-quinoline-4-carboxamide
CID 4787571
N-(5-chloro-2-hydroxyphenyl)-2-oxo-1H-quinoline-4-carboxamide
CID 29127344
N-(2,5-dimethoxyphenyl)-2-oxo-1H-quinoline-4-carboxamide
CID 4779254
2-oxo-1H-quinoline-4-carbohydrazide
CID 676699
N-(4-bromo-2-pyridinyl)-2-oxo-1H-quinoline-4-carboxamide
CID 102674190
N-[2-(dimethylamino)-3-pyridinyl]-2-oxo-1H-quinoline-4-carboxamide
CID 71896808
N-(3-methylphenyl)-2-oxo-1H-quinoline-5-carboxamide
CID 166776296

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-methylphenyl)-2-oxo-1H-quinoline-4-carboxamide?
The IUPAC name of N-(2-bromo-4-methylphenyl)-2-oxo-1H-quinoline-4-carboxamide (CID 7545590) is N-(2-bromo-4-methylphenyl)-2-oxo-1H-quinoline-4-carboxamide.
What is the SMILES notation for N-(2-bromo-4-methylphenyl)-2-oxo-1H-quinoline-4-carboxamide?
The canonical SMILES for N-(2-bromo-4-methylphenyl)-2-oxo-1H-quinoline-4-carboxamide is Cc1ccc(NC(=O)c2cc(=O)[nH]c3ccccc23)c(Br)c1.
What is the InChIKey of N-(2-bromo-4-methylphenyl)-2-oxo-1H-quinoline-4-carboxamide?
The InChIKey is BQKABVZIASKMSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13BrN2O2/c1-10-6-7-15(13(18)8-10)20-17(22)12-9-16(21)19-14-5-3-2-4-11(12)14/h2-9H,1H3,(H,19,21)(H,20,22).
What are the key properties of N-(2-bromo-4-methylphenyl)-2-oxo-1H-quinoline-4-carboxamide?
N-(2-bromo-4-methylphenyl)-2-oxo-1H-quinoline-4-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-(2-bromo-4-methylphenyl)-2-oxo-1H-quinoline-4-carboxamide is sourced from PubChem (CID 7545590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).