N-(4-bromophenyl)-2-(4-methylphenyl)quinoline-4-carboxamide

C23H17BrN2O — CID 1122093

IUPACN-(4-bromophenyl)-2-(4-methylphenyl)quinoline-4-carboxamide
SMILESCc1ccc(-c2cc(C(=O)Nc3ccc(Br)cc3)c3ccccc3n2)cc1
InChIInChI=1S/C23H17BrN2O/c1-15-6-8-16(9-7-15)22-14-20(19-4-2-3-5-21(19)26-22)23(27)25-18-12-10-17(24)11-13-18/h2-14H,1H3,(H,25,27)
InChIKeyYOQILAMOUKXMNU-UHFFFAOYSA-N
MW417.31 g/mol
LogP6.23
Rot. Bonds3

About N-(4-bromophenyl)-2-(4-methylphenyl)quinoline-4-carboxamide

N-(4-bromophenyl)-2-(4-methylphenyl)quinoline-4-carboxamide (PubChem CID 1122093) has the molecular formula C23H17BrN2O and a molecular weight of 417.31 g/mol. Its IUPAC name is N-(4-bromophenyl)-2-(4-methylphenyl)quinoline-4-carboxamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-2-(4-methylphenyl)quinoline-4-carboxamide
PubChem CID1122093
Molecular FormulaC23H17BrN2O
Molecular Weight417.31 g/mol
Exact Mass416.05
IUPAC NameN-(4-bromophenyl)-2-(4-methylphenyl)quinoline-4-carboxamide
SMILESCc1ccc(-c2cc(C(=O)Nc3ccc(Br)cc3)c3ccccc3n2)cc1
InChIInChI=1S/C23H17BrN2O/c1-15-6-8-16(9-7-15)22-14-20(19-4-2-3-5-21(19)26-22)23(27)25-18-12-10-17(24)11-13-18/h2-14H,1H3,(H,25,27)
InChIKeyYOQILAMOUKXMNU-UHFFFAOYSA-N
XLogP6.23
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.31
LogP ≤ 56.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

SB 222200
CID 6604009
2-phenyl-N-(1-phenylethyl)quinoline-4-carboxamide
CID 2849628
2-(4-Aminophenyl)-6-bromoquinoline-4-carbohydrazide
CID 1379186
N-Phenyl-1,2,3,4-tetrahydro-9-acridinecarboxamide
CID 775717
2-Methylquinoline-4-carboxamide
CID 85122
6-fluoro-2-(2'-fluoro[1,1'-biphenyl]-4-yl)-N-methoxy-3-methylquinoline-4-carboxamide
CID 154702659
6-Bromo-2-phenylquinoline-4-carboxamide
CID 2803005
N-(2-methylquinolin-6-yl)benzamide
CID 702495
Cambridge id 7007502
CID 753478
2-ethyl-3-methyl-N-(phenylmethyl)quinoline-4-carboxamide
CID 855960
N-(2,3-dimethylcyclohexyl)-2-methylquinoline-4-carboxamide
CID 5002006
N-benzyl-2-phenylquinoline-4-carboxamide
CID 667698

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-2-(4-methylphenyl)quinoline-4-carboxamide?
The IUPAC name of N-(4-bromophenyl)-2-(4-methylphenyl)quinoline-4-carboxamide (CID 1122093) is N-(4-bromophenyl)-2-(4-methylphenyl)quinoline-4-carboxamide.
What is the SMILES notation for N-(4-bromophenyl)-2-(4-methylphenyl)quinoline-4-carboxamide?
The canonical SMILES for N-(4-bromophenyl)-2-(4-methylphenyl)quinoline-4-carboxamide is Cc1ccc(-c2cc(C(=O)Nc3ccc(Br)cc3)c3ccccc3n2)cc1.
What is the InChIKey of N-(4-bromophenyl)-2-(4-methylphenyl)quinoline-4-carboxamide?
The InChIKey is YOQILAMOUKXMNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17BrN2O/c1-15-6-8-16(9-7-15)22-14-20(19-4-2-3-5-21(19)26-22)23(27)25-18-12-10-17(24)11-13-18/h2-14H,1H3,(H,25,27).
What are the key properties of N-(4-bromophenyl)-2-(4-methylphenyl)quinoline-4-carboxamide?
N-(4-bromophenyl)-2-(4-methylphenyl)quinoline-4-carboxamide has a molecular weight of 417.31 g/mol, XLogP of 6.23, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-2-(4-methylphenyl)quinoline-4-carboxamide is sourced from PubChem (CID 1122093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).