N-(2-bromo-4-methylphenyl)-2-(4-chlorophenyl)quinoline-4-carboxamide

C23H16BrClN2O — CID 2163467

IUPACN-(2-bromo-4-methylphenyl)-2-(4-chlorophenyl)quinoline-4-carboxamide
SMILESCc1ccc(NC(=O)c2cc(-c3ccc(Cl)cc3)nc3ccccc23)c(Br)c1
InChIInChI=1S/C23H16BrClN2O/c1-14-6-11-21(19(24)12-14)27-23(28)18-13-22(15-7-9-16(25)10-8-15)26-20-5-3-2-4-17(18)20/h2-13H,1H3,(H,27,28)
InChIKeyHQMNAIOEBXGFFB-UHFFFAOYSA-N
MW451.75 g/mol
LogP6.88
Rot. Bonds3

About N-(2-bromo-4-methylphenyl)-2-(4-chlorophenyl)quinoline-4-carboxamide

N-(2-bromo-4-methylphenyl)-2-(4-chlorophenyl)quinoline-4-carboxamide (PubChem CID 2163467) has the molecular formula C23H16BrClN2O and a molecular weight of 451.75 g/mol. Its IUPAC name is N-(2-bromo-4-methylphenyl)-2-(4-chlorophenyl)quinoline-4-carboxamide.

Molecular Properties

Compound NameN-(2-bromo-4-methylphenyl)-2-(4-chlorophenyl)quinoline-4-carboxamide
PubChem CID2163467
Molecular FormulaC23H16BrClN2O
Molecular Weight451.75 g/mol
Exact Mass450.01
IUPAC NameN-(2-bromo-4-methylphenyl)-2-(4-chlorophenyl)quinoline-4-carboxamide
SMILESCc1ccc(NC(=O)c2cc(-c3ccc(Cl)cc3)nc3ccccc23)c(Br)c1
InChIInChI=1S/C23H16BrClN2O/c1-14-6-11-21(19(24)12-14)27-23(28)18-13-22(15-7-9-16(25)10-8-15)26-20-5-3-2-4-17(18)20/h2-13H,1H3,(H,27,28)
InChIKeyHQMNAIOEBXGFFB-UHFFFAOYSA-N
XLogP6.88
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.75
LogP ≤ 56.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-methylphenyl)-2-(4-chlorophenyl)quinoline-4-carboxamide?
The IUPAC name of N-(2-bromo-4-methylphenyl)-2-(4-chlorophenyl)quinoline-4-carboxamide (CID 2163467) is N-(2-bromo-4-methylphenyl)-2-(4-chlorophenyl)quinoline-4-carboxamide.
What is the SMILES notation for N-(2-bromo-4-methylphenyl)-2-(4-chlorophenyl)quinoline-4-carboxamide?
The canonical SMILES for N-(2-bromo-4-methylphenyl)-2-(4-chlorophenyl)quinoline-4-carboxamide is Cc1ccc(NC(=O)c2cc(-c3ccc(Cl)cc3)nc3ccccc23)c(Br)c1.
What is the InChIKey of N-(2-bromo-4-methylphenyl)-2-(4-chlorophenyl)quinoline-4-carboxamide?
The InChIKey is HQMNAIOEBXGFFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16BrClN2O/c1-14-6-11-21(19(24)12-14)27-23(28)18-13-22(15-7-9-16(25)10-8-15)26-20-5-3-2-4-17(18)20/h2-13H,1H3,(H,27,28).
What are the key properties of N-(2-bromo-4-methylphenyl)-2-(4-chlorophenyl)quinoline-4-carboxamide?
N-(2-bromo-4-methylphenyl)-2-(4-chlorophenyl)quinoline-4-carboxamide has a molecular weight of 451.75 g/mol, XLogP of 6.88, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4-methylphenyl)-2-(4-chlorophenyl)quinoline-4-carboxamide is sourced from PubChem (CID 2163467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).