6-bromo-N,2-dipyridin-3-ylquinoline-4-carboxamide

C20H13BrN4O — CID 1261800

IUPAC6-bromo-N,2-dipyridin-3-ylquinoline-4-carboxamide
SMILESO=C(Nc1cccnc1)c1cc(-c2cccnc2)nc2ccc(Br)cc12
InChIInChI=1S/C20H13BrN4O/c21-14-5-6-18-16(9-14)17(20(26)24-15-4-2-8-23-12-15)10-19(25-18)13-3-1-7-22-11-13/h1-12H,(H,24,26)
InChIKeyFTNSRSTZEPZAOA-UHFFFAOYSA-N
MW405.26 g/mol
LogP4.71
Rot. Bonds3

About 6-bromo-N,2-dipyridin-3-ylquinoline-4-carboxamide

6-bromo-N,2-dipyridin-3-ylquinoline-4-carboxamide (PubChem CID 1261800) has the molecular formula C20H13BrN4O and a molecular weight of 405.26 g/mol. Its IUPAC name is 6-bromo-N,2-dipyridin-3-ylquinoline-4-carboxamide.

Molecular Properties

Compound Name6-bromo-N,2-dipyridin-3-ylquinoline-4-carboxamide
PubChem CID1261800
Molecular FormulaC20H13BrN4O
Molecular Weight405.26 g/mol
Exact Mass404.03
IUPAC Name6-bromo-N,2-dipyridin-3-ylquinoline-4-carboxamide
SMILESO=C(Nc1cccnc1)c1cc(-c2cccnc2)nc2ccc(Br)cc12
InChIInChI=1S/C20H13BrN4O/c21-14-5-6-18-16(9-14)17(20(26)24-15-4-2-8-23-12-15)10-19(25-18)13-3-1-7-22-11-13/h1-12H,(H,24,26)
InChIKeyFTNSRSTZEPZAOA-UHFFFAOYSA-N
XLogP4.71
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.26
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-bromo-N,2-dipyridin-3-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 6-bromo-N,2-dipyridin-3-ylquinoline-4-carboxamide?
The IUPAC name of 6-bromo-N,2-dipyridin-3-ylquinoline-4-carboxamide (CID 1261800) is 6-bromo-N,2-dipyridin-3-ylquinoline-4-carboxamide.
What is the SMILES notation for 6-bromo-N,2-dipyridin-3-ylquinoline-4-carboxamide?
The canonical SMILES for 6-bromo-N,2-dipyridin-3-ylquinoline-4-carboxamide is O=C(Nc1cccnc1)c1cc(-c2cccnc2)nc2ccc(Br)cc12.
What is the InChIKey of 6-bromo-N,2-dipyridin-3-ylquinoline-4-carboxamide?
The InChIKey is FTNSRSTZEPZAOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13BrN4O/c21-14-5-6-18-16(9-14)17(20(26)24-15-4-2-8-23-12-15)10-19(25-18)13-3-1-7-22-11-13/h1-12H,(H,24,26).
What are the key properties of 6-bromo-N,2-dipyridin-3-ylquinoline-4-carboxamide?
6-bromo-N,2-dipyridin-3-ylquinoline-4-carboxamide has a molecular weight of 405.26 g/mol, XLogP of 4.71, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N,2-dipyridin-3-ylquinoline-4-carboxamide is sourced from PubChem (CID 1261800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).