2-bromo-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)benzamide

C16H13BrN2O2 — CID 27555740

IUPAC2-bromo-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)benzamide
SMILESO=C1CCc2cc(NC(=O)c3ccccc3Br)ccc2N1
InChIInChI=1S/C16H13BrN2O2/c17-13-4-2-1-3-12(13)16(21)18-11-6-7-14-10(9-11)5-8-15(20)19-14/h1-4,6-7,9H,5,8H2,(H,18,21)(H,19,20)
InChIKeyCOQPUUPGCHSWPD-UHFFFAOYSA-N
MW345.20 g/mol
LogP3.59
Rot. Bonds2

About 2-bromo-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)benzamide

2-bromo-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)benzamide (PubChem CID 27555740) has the molecular formula C16H13BrN2O2 and a molecular weight of 345.20 g/mol. Its IUPAC name is 2-bromo-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)benzamide.

Molecular Properties

Compound Name2-bromo-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)benzamide
PubChem CID27555740
Molecular FormulaC16H13BrN2O2
Molecular Weight345.20 g/mol
Exact Mass344.02
IUPAC Name2-bromo-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)benzamide
SMILESO=C1CCc2cc(NC(=O)c3ccccc3Br)ccc2N1
InChIInChI=1S/C16H13BrN2O2/c17-13-4-2-1-3-12(13)16(21)18-11-6-7-14-10(9-11)5-8-15(20)19-14/h1-4,6-7,9H,5,8H2,(H,18,21)(H,19,20)
InChIKeyCOQPUUPGCHSWPD-UHFFFAOYSA-N
XLogP3.59
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.20
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)naphthalene-1-carboxamide
CID 40947091
4-fluoro-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)benzamide
CID 18571284
2-bromo-N-(2,3-dihydro-1H-inden-5-yl)benzamide
CID 2673412
6-oxo-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 60753916
4-amino-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)benzamide
CID 43696909
2-methyl-5-methylsulfonyl-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)benzamide
CID 55611728
6-chloro-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)pyridine-2-carboxamide
CID 62235449
N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1H-benzimidazole-2-carboxamide
CID 140978353
2-bromo-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)propanamide
CID 107903528
1-(4-chlorophenyl)-3-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)urea
CID 30375883
5-chloro-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)pyrazine-2-carboxamide
CID 103817140
N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-2-phenoxyacetamide
CID 18571268

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)benzamide?
The IUPAC name of 2-bromo-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)benzamide (CID 27555740) is 2-bromo-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)benzamide.
What is the SMILES notation for 2-bromo-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)benzamide?
The canonical SMILES for 2-bromo-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)benzamide is O=C1CCc2cc(NC(=O)c3ccccc3Br)ccc2N1.
What is the InChIKey of 2-bromo-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)benzamide?
The InChIKey is COQPUUPGCHSWPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrN2O2/c17-13-4-2-1-3-12(13)16(21)18-11-6-7-14-10(9-11)5-8-15(20)19-14/h1-4,6-7,9H,5,8H2,(H,18,21)(H,19,20).
What are the key properties of 2-bromo-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)benzamide?
2-bromo-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)benzamide has a molecular weight of 345.20 g/mol, XLogP of 3.59, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)benzamide is sourced from PubChem (CID 27555740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).