2-(4-bromophenyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]quinoline-4-carboxamide

C22H19BrN4O — CID 17457899

IUPAC2-(4-bromophenyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]quinoline-4-carboxamide
SMILESCN(Cc1nccn1C)C(=O)c1cc(-c2ccc(Br)cc2)nc2ccccc12
InChIInChI=1S/C22H19BrN4O/c1-26-12-11-24-21(26)14-27(2)22(28)18-13-20(15-7-9-16(23)10-8-15)25-19-6-4-3-5-17(18)19/h3-13H,14H2,1-2H3
InChIKeyAXYHXJSCORCLSW-UHFFFAOYSA-N
MW435.33 g/mol
LogP4.67
Rot. Bonds4

About 2-(4-bromophenyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]quinoline-4-carboxamide

2-(4-bromophenyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]quinoline-4-carboxamide (PubChem CID 17457899) has the molecular formula C22H19BrN4O and a molecular weight of 435.33 g/mol. Its IUPAC name is 2-(4-bromophenyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]quinoline-4-carboxamide.

Molecular Properties

Compound Name2-(4-bromophenyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]quinoline-4-carboxamide
PubChem CID17457899
Molecular FormulaC22H19BrN4O
Molecular Weight435.33 g/mol
Exact Mass434.07
IUPAC Name2-(4-bromophenyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]quinoline-4-carboxamide
SMILESCN(Cc1nccn1C)C(=O)c1cc(-c2ccc(Br)cc2)nc2ccccc12
InChIInChI=1S/C22H19BrN4O/c1-26-12-11-24-21(26)14-27(2)22(28)18-13-20(15-7-9-16(23)10-8-15)25-19-6-4-3-5-17(18)19/h3-13H,14H2,1-2H3
InChIKeyAXYHXJSCORCLSW-UHFFFAOYSA-N
XLogP4.67
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.33
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-bromo-2-fluoro-N-methyl-N-[(1-methylimidazol-2-yl)methyl]benzamide
CID 47120153
N-methyl-2-phenyl-N-(thiophen-2-ylmethyl)quinoline-4-carboxamide
CID 27827840
N-benzyl-2-(3,4-dimethylphenyl)-N-methylquinoline-4-carboxamide
CID 995912
2-(4-chlorophenyl)-N-[(4-ethylphenyl)methyl]-N-methylquinoline-4-carboxamide
CID 7535435
3-bromo-2-chloro-N-methyl-N-[(1-methylimidazol-2-yl)methyl]benzamide
CID 103979664
methyl 2-(4-bromophenyl)quinoline-4-carboxylate
CID 874713
N-butyl-N-methyl-2-phenylquinoline-4-carboxamide
CID 27702629
2-(4-bromophenyl)-N-(2-methylpropyl)quinoline-4-carboxamide
CID 5116892
N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-2-(4-methylphenyl)quinoline-4-carboxamide
CID 8964759
2-fluoro-N,5-dimethyl-N-[(1-methylimidazol-2-yl)methyl]benzamide
CID 62514005
N-(2-methoxypropyl)-N-methyl-2-pyridin-4-ylquinoline-4-carboxamide
CID 166200011
N,2-dimethyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]quinoline-4-carboxamide
CID 71985757

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]quinoline-4-carboxamide?
The IUPAC name of 2-(4-bromophenyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]quinoline-4-carboxamide (CID 17457899) is 2-(4-bromophenyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]quinoline-4-carboxamide.
What is the SMILES notation for 2-(4-bromophenyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]quinoline-4-carboxamide?
The canonical SMILES for 2-(4-bromophenyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]quinoline-4-carboxamide is CN(Cc1nccn1C)C(=O)c1cc(-c2ccc(Br)cc2)nc2ccccc12.
What is the InChIKey of 2-(4-bromophenyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]quinoline-4-carboxamide?
The InChIKey is AXYHXJSCORCLSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19BrN4O/c1-26-12-11-24-21(26)14-27(2)22(28)18-13-20(15-7-9-16(23)10-8-15)25-19-6-4-3-5-17(18)19/h3-13H,14H2,1-2H3.
What are the key properties of 2-(4-bromophenyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]quinoline-4-carboxamide?
2-(4-bromophenyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]quinoline-4-carboxamide has a molecular weight of 435.33 g/mol, XLogP of 4.67, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]quinoline-4-carboxamide is sourced from PubChem (CID 17457899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).