2-(4-bromophenyl)-N-(pyridin-2-ylmethyl)quinoline-4-carboxamide

C22H16BrN3O — CID 1294296

IUPAC2-(4-bromophenyl)-N-(pyridin-2-ylmethyl)quinoline-4-carboxamide
SMILESO=C(NCc1ccccn1)c1cc(-c2ccc(Br)cc2)nc2ccccc12
InChIInChI=1S/C22H16BrN3O/c23-16-10-8-15(9-11-16)21-13-19(18-6-1-2-7-20(18)26-21)22(27)25-14-17-5-3-4-12-24-17/h1-13H,14H2,(H,25,27)
InChIKeyHTOJNXMJGNBCTO-UHFFFAOYSA-N
MW418.29 g/mol
LogP4.99
Rot. Bonds4

About 2-(4-bromophenyl)-N-(pyridin-2-ylmethyl)quinoline-4-carboxamide

2-(4-bromophenyl)-N-(pyridin-2-ylmethyl)quinoline-4-carboxamide (PubChem CID 1294296) has the molecular formula C22H16BrN3O and a molecular weight of 418.29 g/mol. Its IUPAC name is 2-(4-bromophenyl)-N-(pyridin-2-ylmethyl)quinoline-4-carboxamide.

Molecular Properties

Compound Name2-(4-bromophenyl)-N-(pyridin-2-ylmethyl)quinoline-4-carboxamide
PubChem CID1294296
Molecular FormulaC22H16BrN3O
Molecular Weight418.29 g/mol
Exact Mass417.05
IUPAC Name2-(4-bromophenyl)-N-(pyridin-2-ylmethyl)quinoline-4-carboxamide
SMILESO=C(NCc1ccccn1)c1cc(-c2ccc(Br)cc2)nc2ccccc12
InChIInChI=1S/C22H16BrN3O/c23-16-10-8-15(9-11-16)21-13-19(18-6-1-2-7-20(18)26-21)22(27)25-14-17-5-3-4-12-24-17/h1-13H,14H2,(H,25,27)
InChIKeyHTOJNXMJGNBCTO-UHFFFAOYSA-N
XLogP4.99
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.29
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(4-bromophenyl)-N-(pyridin-2-ylmethyl)quinoline-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 2-(4-bromophenyl)-N-(pyridin-2-ylmethyl)quinoline-4-carboxamide?
The IUPAC name of 2-(4-bromophenyl)-N-(pyridin-2-ylmethyl)quinoline-4-carboxamide (CID 1294296) is 2-(4-bromophenyl)-N-(pyridin-2-ylmethyl)quinoline-4-carboxamide.
What is the SMILES notation for 2-(4-bromophenyl)-N-(pyridin-2-ylmethyl)quinoline-4-carboxamide?
The canonical SMILES for 2-(4-bromophenyl)-N-(pyridin-2-ylmethyl)quinoline-4-carboxamide is O=C(NCc1ccccn1)c1cc(-c2ccc(Br)cc2)nc2ccccc12.
What is the InChIKey of 2-(4-bromophenyl)-N-(pyridin-2-ylmethyl)quinoline-4-carboxamide?
The InChIKey is HTOJNXMJGNBCTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16BrN3O/c23-16-10-8-15(9-11-16)21-13-19(18-6-1-2-7-20(18)26-21)22(27)25-14-17-5-3-4-12-24-17/h1-13H,14H2,(H,25,27).
What are the key properties of 2-(4-bromophenyl)-N-(pyridin-2-ylmethyl)quinoline-4-carboxamide?
2-(4-bromophenyl)-N-(pyridin-2-ylmethyl)quinoline-4-carboxamide has a molecular weight of 418.29 g/mol, XLogP of 4.99, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-N-(pyridin-2-ylmethyl)quinoline-4-carboxamide is sourced from PubChem (CID 1294296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).