N-(4-bromophenyl)-2-pyridin-4-ylquinoline-4-carboxamide

C21H14BrN3O — CID 2389718

IUPACN-(4-bromophenyl)-2-pyridin-4-ylquinoline-4-carboxamide
SMILESO=C(Nc1ccc(Br)cc1)c1cc(-c2ccncc2)nc2ccccc12
InChIInChI=1S/C21H14BrN3O/c22-15-5-7-16(8-6-15)24-21(26)18-13-20(14-9-11-23-12-10-14)25-19-4-2-1-3-17(18)19/h1-13H,(H,24,26)
InChIKeyVGLZPLBGZJKKJT-UHFFFAOYSA-N
MW404.27 g/mol
LogP5.31
Rot. Bonds3

About N-(4-bromophenyl)-2-pyridin-4-ylquinoline-4-carboxamide

N-(4-bromophenyl)-2-pyridin-4-ylquinoline-4-carboxamide (PubChem CID 2389718) has the molecular formula C21H14BrN3O and a molecular weight of 404.27 g/mol. Its IUPAC name is N-(4-bromophenyl)-2-pyridin-4-ylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-2-pyridin-4-ylquinoline-4-carboxamide
PubChem CID2389718
Molecular FormulaC21H14BrN3O
Molecular Weight404.27 g/mol
Exact Mass403.03
IUPAC NameN-(4-bromophenyl)-2-pyridin-4-ylquinoline-4-carboxamide
SMILESO=C(Nc1ccc(Br)cc1)c1cc(-c2ccncc2)nc2ccccc12
InChIInChI=1S/C21H14BrN3O/c22-15-5-7-16(8-6-15)24-21(26)18-13-20(14-9-11-23-12-10-14)25-19-4-2-1-3-17(18)19/h1-13H,(H,24,26)
InChIKeyVGLZPLBGZJKKJT-UHFFFAOYSA-N
XLogP5.31
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.27
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(4-bromophenyl)-2-pyridin-4-ylquinoline-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-2-pyridin-4-ylquinoline-4-carboxamide?
The IUPAC name of N-(4-bromophenyl)-2-pyridin-4-ylquinoline-4-carboxamide (CID 2389718) is N-(4-bromophenyl)-2-pyridin-4-ylquinoline-4-carboxamide.
What is the SMILES notation for N-(4-bromophenyl)-2-pyridin-4-ylquinoline-4-carboxamide?
The canonical SMILES for N-(4-bromophenyl)-2-pyridin-4-ylquinoline-4-carboxamide is O=C(Nc1ccc(Br)cc1)c1cc(-c2ccncc2)nc2ccccc12.
What is the InChIKey of N-(4-bromophenyl)-2-pyridin-4-ylquinoline-4-carboxamide?
The InChIKey is VGLZPLBGZJKKJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14BrN3O/c22-15-5-7-16(8-6-15)24-21(26)18-13-20(14-9-11-23-12-10-14)25-19-4-2-1-3-17(18)19/h1-13H,(H,24,26).
What are the key properties of N-(4-bromophenyl)-2-pyridin-4-ylquinoline-4-carboxamide?
N-(4-bromophenyl)-2-pyridin-4-ylquinoline-4-carboxamide has a molecular weight of 404.27 g/mol, XLogP of 5.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-2-pyridin-4-ylquinoline-4-carboxamide is sourced from PubChem (CID 2389718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).