N-benzyl-6-bromo-N-methyl-2-oxo-1H-quinoline-3-carboxamide

C18H15BrN2O2 — CID 110296006

IUPACN-benzyl-6-bromo-N-methyl-2-oxo-1H-quinoline-3-carboxamide
SMILESCN(Cc1ccccc1)C(=O)c1cc2cc(Br)ccc2[nH]c1=O
InChIInChI=1S/C18H15BrN2O2/c1-21(11-12-5-3-2-4-6-12)18(23)15-10-13-9-14(19)7-8-16(13)20-17(15)22/h2-10H,11H2,1H3,(H,20,22)
InChIKeyRRPVLWJFFUEJDJ-UHFFFAOYSA-N
MW371.23 g/mol
LogP3.56
Rot. Bonds3

About N-benzyl-6-bromo-N-methyl-2-oxo-1H-quinoline-3-carboxamide

N-benzyl-6-bromo-N-methyl-2-oxo-1H-quinoline-3-carboxamide (PubChem CID 110296006) has the molecular formula C18H15BrN2O2 and a molecular weight of 371.23 g/mol. Its IUPAC name is N-benzyl-6-bromo-N-methyl-2-oxo-1H-quinoline-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-6-bromo-N-methyl-2-oxo-1H-quinoline-3-carboxamide
PubChem CID110296006
Molecular FormulaC18H15BrN2O2
Molecular Weight371.23 g/mol
Exact Mass370.03
IUPAC NameN-benzyl-6-bromo-N-methyl-2-oxo-1H-quinoline-3-carboxamide
SMILESCN(Cc1ccccc1)C(=O)c1cc2cc(Br)ccc2[nH]c1=O
InChIInChI=1S/C18H15BrN2O2/c1-21(11-12-5-3-2-4-6-12)18(23)15-10-13-9-14(19)7-8-16(13)20-17(15)22/h2-10H,11H2,1H3,(H,20,22)
InChIKeyRRPVLWJFFUEJDJ-UHFFFAOYSA-N
XLogP3.56
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.23
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-bromo-2-oxo-N-(2-phenylethyl)-1H-quinoline-3-carboxamide
CID 110296017
N-benzyl-4-bromo-N-methylbenzamide
CID 751372
N-benzyl-N-methyl-2-oxo-1H-quinoline-4-carboxamide
CID 2977763
N-benzyl-2-(4-bromobenzoyl)-N-methylbenzamide
CID 25465829
N,N-dimethyl-2-oxo-1H-quinoline-3-carboxamide
CID 14117619
7-bromo-2-oxo-1H-quinoline-3-carboxylic acid
CID 22690288
6-bromo-N-(4-methoxybutyl)-2-oxo-1H-quinoline-3-carboxamide
CID 110416375
N-benzyl-N-methyl-5-oxo-1,2-dihydropyrazole-3-carboxamide
CID 112513822
N-benzyl-N,6-dimethyl-4-oxo-1H-pyridine-3-carboxamide
CID 110851115
N-[(3-bromophenyl)methyl]-N-methyl-2-(methylamino)benzamide
CID 61378055
5-bromo-N-methyl-N-[(3-methylphenyl)methyl]-2-oxo-1H-pyridine-3-carboxamide
CID 126648643
N-[(3-bromophenyl)methyl]-N-methyl-1H-indole-3-carboxamide
CID 61042579

Frequently Asked Questions

What is the IUPAC name of N-benzyl-6-bromo-N-methyl-2-oxo-1H-quinoline-3-carboxamide?
The IUPAC name of N-benzyl-6-bromo-N-methyl-2-oxo-1H-quinoline-3-carboxamide (CID 110296006) is N-benzyl-6-bromo-N-methyl-2-oxo-1H-quinoline-3-carboxamide.
What is the SMILES notation for N-benzyl-6-bromo-N-methyl-2-oxo-1H-quinoline-3-carboxamide?
The canonical SMILES for N-benzyl-6-bromo-N-methyl-2-oxo-1H-quinoline-3-carboxamide is CN(Cc1ccccc1)C(=O)c1cc2cc(Br)ccc2[nH]c1=O.
What is the InChIKey of N-benzyl-6-bromo-N-methyl-2-oxo-1H-quinoline-3-carboxamide?
The InChIKey is RRPVLWJFFUEJDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15BrN2O2/c1-21(11-12-5-3-2-4-6-12)18(23)15-10-13-9-14(19)7-8-16(13)20-17(15)22/h2-10H,11H2,1H3,(H,20,22).
What are the key properties of N-benzyl-6-bromo-N-methyl-2-oxo-1H-quinoline-3-carboxamide?
N-benzyl-6-bromo-N-methyl-2-oxo-1H-quinoline-3-carboxamide has a molecular weight of 371.23 g/mol, XLogP of 3.56, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-6-bromo-N-methyl-2-oxo-1H-quinoline-3-carboxamide is sourced from PubChem (CID 110296006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).