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

C22H14BrClN2O — CID 2163288

IUPAC2-(4-bromophenyl)-N-(3-chlorophenyl)quinoline-4-carboxamide
SMILESO=C(Nc1cccc(Cl)c1)c1cc(-c2ccc(Br)cc2)nc2ccccc12
InChIInChI=1S/C22H14BrClN2O/c23-15-10-8-14(9-11-15)21-13-19(18-6-1-2-7-20(18)26-21)22(27)25-17-5-3-4-16(24)12-17/h1-13H,(H,25,27)
InChIKeyGUTFELJOICBGKL-UHFFFAOYSA-N
MW437.72 g/mol
LogP6.57
Rot. Bonds3

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

2-(4-bromophenyl)-N-(3-chlorophenyl)quinoline-4-carboxamide (PubChem CID 2163288) has the molecular formula C22H14BrClN2O and a molecular weight of 437.72 g/mol. Its IUPAC name is 2-(4-bromophenyl)-N-(3-chlorophenyl)quinoline-4-carboxamide.

Molecular Properties

Compound Name2-(4-bromophenyl)-N-(3-chlorophenyl)quinoline-4-carboxamide
PubChem CID2163288
Molecular FormulaC22H14BrClN2O
Molecular Weight437.72 g/mol
Exact Mass436.00
IUPAC Name2-(4-bromophenyl)-N-(3-chlorophenyl)quinoline-4-carboxamide
SMILESO=C(Nc1cccc(Cl)c1)c1cc(-c2ccc(Br)cc2)nc2ccccc12
InChIInChI=1S/C22H14BrClN2O/c23-15-10-8-14(9-11-15)21-13-19(18-6-1-2-7-20(18)26-21)22(27)25-17-5-3-4-16(24)12-17/h1-13H,(H,25,27)
InChIKeyGUTFELJOICBGKL-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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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-N-(3-chlorophenyl)quinoline-4-carboxamide?
The IUPAC name of 2-(4-bromophenyl)-N-(3-chlorophenyl)quinoline-4-carboxamide (CID 2163288) is 2-(4-bromophenyl)-N-(3-chlorophenyl)quinoline-4-carboxamide.
What is the SMILES notation for 2-(4-bromophenyl)-N-(3-chlorophenyl)quinoline-4-carboxamide?
The canonical SMILES for 2-(4-bromophenyl)-N-(3-chlorophenyl)quinoline-4-carboxamide is O=C(Nc1cccc(Cl)c1)c1cc(-c2ccc(Br)cc2)nc2ccccc12.
What is the InChIKey of 2-(4-bromophenyl)-N-(3-chlorophenyl)quinoline-4-carboxamide?
The InChIKey is GUTFELJOICBGKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14BrClN2O/c23-15-10-8-14(9-11-15)21-13-19(18-6-1-2-7-20(18)26-21)22(27)25-17-5-3-4-16(24)12-17/h1-13H,(H,25,27).
What are the key properties of 2-(4-bromophenyl)-N-(3-chlorophenyl)quinoline-4-carboxamide?
2-(4-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-(4-bromophenyl)-N-(3-chlorophenyl)quinoline-4-carboxamide is sourced from PubChem (CID 2163288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).