2-bromo-N-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide

C19H17BrN2O2 — CID 110325268

IUPAC2-bromo-N-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide
SMILESCc1cc(C)c2[nH]c(=O)c(CNC(=O)c3ccccc3Br)cc2c1
InChIInChI=1S/C19H17BrN2O2/c1-11-7-12(2)17-13(8-11)9-14(18(23)22-17)10-21-19(24)15-5-3-4-6-16(15)20/h3-9H,10H2,1-2H3,(H,21,24)(H,22,23)
InChIKeyGMXQCRKUEUQKTP-UHFFFAOYSA-N
MW385.26 g/mol
LogP3.84
Rot. Bonds3

About 2-bromo-N-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide

2-bromo-N-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide (PubChem CID 110325268) has the molecular formula C19H17BrN2O2 and a molecular weight of 385.26 g/mol. Its IUPAC name is 2-bromo-N-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide.

Molecular Properties

Compound Name2-bromo-N-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide
PubChem CID110325268
Molecular FormulaC19H17BrN2O2
Molecular Weight385.26 g/mol
Exact Mass384.05
IUPAC Name2-bromo-N-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide
SMILESCc1cc(C)c2[nH]c(=O)c(CNC(=O)c3ccccc3Br)cc2c1
InChIInChI=1S/C19H17BrN2O2/c1-11-7-12(2)17-13(8-11)9-14(18(23)22-17)10-21-19(24)15-5-3-4-6-16(15)20/h3-9H,10H2,1-2H3,(H,21,24)(H,22,23)
InChIKeyGMXQCRKUEUQKTP-UHFFFAOYSA-N
XLogP3.84
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.26
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide
CID 69445167
6,8-dimethyl-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-2-oxo-1H-quinoline-3-carboxamide
CID 110616698
N-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-fluorobenzamide
CID 110325266
N-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-phenoxypropanamide
CID 110325288
N-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-1,3-benzodioxole-5-carboxamide
CID 110325301
N-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-methylbutanamide
CID 110325256
N-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]pentanamide
CID 69447803
3-[(2-methoxyanilino)methyl]-6,8-dimethyl-1H-quinolin-2-one
CID 864735
N-[2-(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-methylbenzamide
CID 110326259
1-[2-(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-phenylurea
CID 110326282
2-bromo-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(3-methylphenyl)benzamide
CID 3447208
2-bromo-N-[(3-methyl-4-pyridinyl)methyl]benzamide
CID 114700594

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide?
The IUPAC name of 2-bromo-N-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide (CID 110325268) is 2-bromo-N-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide.
What is the SMILES notation for 2-bromo-N-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide?
The canonical SMILES for 2-bromo-N-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide is Cc1cc(C)c2[nH]c(=O)c(CNC(=O)c3ccccc3Br)cc2c1.
What is the InChIKey of 2-bromo-N-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide?
The InChIKey is GMXQCRKUEUQKTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17BrN2O2/c1-11-7-12(2)17-13(8-11)9-14(18(23)22-17)10-21-19(24)15-5-3-4-6-16(15)20/h3-9H,10H2,1-2H3,(H,21,24)(H,22,23).
What are the key properties of 2-bromo-N-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide?
2-bromo-N-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide has a molecular weight of 385.26 g/mol, XLogP of 3.84, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide is sourced from PubChem (CID 110325268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).