2-(3-bromophenyl)-N-(3-chlorophenyl)quinoline-4-carboxamide

C22H14BrClN2O — CID 2163613

IUPAC2-(3-bromophenyl)-N-(3-chlorophenyl)quinoline-4-carboxamide
SMILESO=C(Nc1cccc(Cl)c1)c1cc(-c2cccc(Br)c2)nc2ccccc12
InChIInChI=1S/C22H14BrClN2O/c23-15-6-3-5-14(11-15)21-13-19(18-9-1-2-10-20(18)26-21)22(27)25-17-8-4-7-16(24)12-17/h1-13H,(H,25,27)
InChIKeyAHSLCMGRZBPOOW-UHFFFAOYSA-N
MW437.72 g/mol
LogP6.57
Rot. Bonds3

About 2-(3-bromophenyl)-N-(3-chlorophenyl)quinoline-4-carboxamide

2-(3-bromophenyl)-N-(3-chlorophenyl)quinoline-4-carboxamide (PubChem CID 2163613) has the molecular formula C22H14BrClN2O and a molecular weight of 437.72 g/mol. Its IUPAC name is 2-(3-bromophenyl)-N-(3-chlorophenyl)quinoline-4-carboxamide.

Molecular Properties

Compound Name2-(3-bromophenyl)-N-(3-chlorophenyl)quinoline-4-carboxamide
PubChem CID2163613
Molecular FormulaC22H14BrClN2O
Molecular Weight437.72 g/mol
Exact Mass436.00
IUPAC Name2-(3-bromophenyl)-N-(3-chlorophenyl)quinoline-4-carboxamide
SMILESO=C(Nc1cccc(Cl)c1)c1cc(-c2cccc(Br)c2)nc2ccccc12
InChIInChI=1S/C22H14BrClN2O/c23-15-6-3-5-14(11-15)21-13-19(18-9-1-2-10-20(18)26-21)22(27)25-17-8-4-7-16(24)12-17/h1-13H,(H,25,27)
InChIKeyAHSLCMGRZBPOOW-UHFFFAOYSA-N
XLogP6.57
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.72
LogP ≤ 56.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-Phenyl-1,2,3,4-tetrahydro-9-acridinecarboxamide
CID 775717
N-(4-amino-2-propylquinolin-6-yl)-4''-chlorobiphenyl-4-carboxamide
CID 44417832
6-Bromo-2-phenylquinoline-4-carboxamide
CID 2803005
2-Chloroquinoline-4-carboxamide
CID 686022
N-[(3-chlorophenyl)methyl]-2-methylquinoline-4-carboxamide
CID 2088463
2-chloro-N-(4-methylcyclohexyl)quinoline-4-carboxamide
CID 39902825
2-(4-Bromophenyl)-N-cyclopropyl-4-quinolinecarboxamide
CID 1012197
N-(4-chlorophenyl)-5,6-dihydrobenzo[c]acridine-7-carboxamide
CID 4402169
2-chloro-N-phenylquinoline-4-carboxamide
CID 764044
2-Phenyl-quinoline-4-carboxylic acid (1-methyl-1-phenyl-ethyl)-amide
CID 10595071
3-bromo-2-phenyl-N-[(1S)-1-phenylpropyl]quinoline-4-carboxamide
CID 10837046
3-Chloro-2-phenyl-quinoline-4-carboxylic acid ((R)-1-phenyl-propyl)-amide
CID 44266632

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-N-(3-chlorophenyl)quinoline-4-carboxamide?
The IUPAC name of 2-(3-bromophenyl)-N-(3-chlorophenyl)quinoline-4-carboxamide (CID 2163613) is 2-(3-bromophenyl)-N-(3-chlorophenyl)quinoline-4-carboxamide.
What is the SMILES notation for 2-(3-bromophenyl)-N-(3-chlorophenyl)quinoline-4-carboxamide?
The canonical SMILES for 2-(3-bromophenyl)-N-(3-chlorophenyl)quinoline-4-carboxamide is O=C(Nc1cccc(Cl)c1)c1cc(-c2cccc(Br)c2)nc2ccccc12.
What is the InChIKey of 2-(3-bromophenyl)-N-(3-chlorophenyl)quinoline-4-carboxamide?
The InChIKey is AHSLCMGRZBPOOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14BrClN2O/c23-15-6-3-5-14(11-15)21-13-19(18-9-1-2-10-20(18)26-21)22(27)25-17-8-4-7-16(24)12-17/h1-13H,(H,25,27).
What are the key properties of 2-(3-bromophenyl)-N-(3-chlorophenyl)quinoline-4-carboxamide?
2-(3-bromophenyl)-N-(3-chlorophenyl)quinoline-4-carboxamide has a molecular weight of 437.72 g/mol, XLogP of 6.57, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-N-(3-chlorophenyl)quinoline-4-carboxamide is sourced from PubChem (CID 2163613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).