N-[(4-bromophenyl)methyl]-2-oxo-1H-quinoline-3-carboxamide

C17H13BrN2O2 — CID 142731957

IUPACN-[(4-bromophenyl)methyl]-2-oxo-1H-quinoline-3-carboxamide
SMILESO=C(NCc1ccc(Br)cc1)c1cc2ccccc2[nH]c1=O
InChIInChI=1S/C17H13BrN2O2/c18-13-7-5-11(6-8-13)10-19-16(21)14-9-12-3-1-2-4-15(12)20-17(14)22/h1-9H,10H2,(H,19,21)(H,20,22)
InChIKeyQQJAOVLVZFGUJW-UHFFFAOYSA-N
MW357.21 g/mol
LogP3.22
Rot. Bonds3

About N-[(4-bromophenyl)methyl]-2-oxo-1H-quinoline-3-carboxamide

N-[(4-bromophenyl)methyl]-2-oxo-1H-quinoline-3-carboxamide (PubChem CID 142731957) has the molecular formula C17H13BrN2O2 and a molecular weight of 357.21 g/mol. Its IUPAC name is N-[(4-bromophenyl)methyl]-2-oxo-1H-quinoline-3-carboxamide.

Molecular Properties

Compound NameN-[(4-bromophenyl)methyl]-2-oxo-1H-quinoline-3-carboxamide
PubChem CID142731957
Molecular FormulaC17H13BrN2O2
Molecular Weight357.21 g/mol
Exact Mass356.02
IUPAC NameN-[(4-bromophenyl)methyl]-2-oxo-1H-quinoline-3-carboxamide
SMILESO=C(NCc1ccc(Br)cc1)c1cc2ccccc2[nH]c1=O
InChIInChI=1S/C17H13BrN2O2/c18-13-7-5-11(6-8-13)10-19-16(21)14-9-12-3-1-2-4-15(12)20-17(14)22/h1-9H,10H2,(H,19,21)(H,20,22)
InChIKeyQQJAOVLVZFGUJW-UHFFFAOYSA-N
XLogP3.22
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.21
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-[(4-bromophenyl)methyl]-2-oxo-1H-quinoline-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(4-chlorophenyl)methyl]-2-oxo-1H-quinoline-3-carboxamide
CID 123757934
N-[(3,4-dihydroxyphenyl)methyl]-2-oxo-1H-quinoline-3-carboxamide
CID 142731918
N-[(4-bromophenyl)methyl]-1H-indole-2-carboxamide
CID 46921176
N-(2-bromoethyl)-2-oxo-1H-quinoline-3-carboxamide
CID 142731854
N-[(6-methoxy-3-pyridinyl)methyl]-2-oxo-1H-quinoline-3-carboxamide
CID 16613259
2-[(2-oxo-1H-quinoline-3-carbonyl)amino]acetic acid
CID 66951790
N-methyl-2-oxo-1H-quinoline-3-carboxamide
CID 16613028
2-oxo-N-(pyridin-2-ylmethyl)-1H-quinoline-3-carboxamide
CID 16589995
6-bromo-2-oxo-N-(2-phenylethyl)-1H-quinoline-3-carboxamide
CID 110296017
N-[(4-butoxy-3-methoxyphenyl)methyl]-2-oxo-1H-quinoline-3-carboxamide
CID 55694019
N-[[3-(butanoylamino)phenyl]methyl]-2-oxo-1H-quinoline-3-carboxamide
CID 55844693
N-[(4-bromophenyl)methyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 61401037

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromophenyl)methyl]-2-oxo-1H-quinoline-3-carboxamide?
The IUPAC name of N-[(4-bromophenyl)methyl]-2-oxo-1H-quinoline-3-carboxamide (CID 142731957) is N-[(4-bromophenyl)methyl]-2-oxo-1H-quinoline-3-carboxamide.
What is the SMILES notation for N-[(4-bromophenyl)methyl]-2-oxo-1H-quinoline-3-carboxamide?
The canonical SMILES for N-[(4-bromophenyl)methyl]-2-oxo-1H-quinoline-3-carboxamide is O=C(NCc1ccc(Br)cc1)c1cc2ccccc2[nH]c1=O.
What is the InChIKey of N-[(4-bromophenyl)methyl]-2-oxo-1H-quinoline-3-carboxamide?
The InChIKey is QQJAOVLVZFGUJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13BrN2O2/c18-13-7-5-11(6-8-13)10-19-16(21)14-9-12-3-1-2-4-15(12)20-17(14)22/h1-9H,10H2,(H,19,21)(H,20,22).
What are the key properties of N-[(4-bromophenyl)methyl]-2-oxo-1H-quinoline-3-carboxamide?
N-[(4-bromophenyl)methyl]-2-oxo-1H-quinoline-3-carboxamide has a molecular weight of 357.21 g/mol, XLogP of 3.22, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromophenyl)methyl]-2-oxo-1H-quinoline-3-carboxamide is sourced from PubChem (CID 142731957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).