N-(1,3-benzodioxol-5-yl)-6-methyl-2-pyridin-2-ylquinoline-4-carboxamide

C23H17N3O3 — CID 1261604

IUPACN-(1,3-benzodioxol-5-yl)-6-methyl-2-pyridin-2-ylquinoline-4-carboxamide
SMILESCc1ccc2nc(-c3ccccn3)cc(C(=O)Nc3ccc4c(c3)OCO4)c2c1
InChIInChI=1S/C23H17N3O3/c1-14-5-7-18-16(10-14)17(12-20(26-18)19-4-2-3-9-24-19)23(27)25-15-6-8-21-22(11-15)29-13-28-21/h2-12H,13H2,1H3,(H,25,27)
InChIKeySJBFKBQILMSIGJ-UHFFFAOYSA-N
MW383.41 g/mol
LogP4.59
Rot. Bonds3

About N-(1,3-benzodioxol-5-yl)-6-methyl-2-pyridin-2-ylquinoline-4-carboxamide

N-(1,3-benzodioxol-5-yl)-6-methyl-2-pyridin-2-ylquinoline-4-carboxamide (PubChem CID 1261604) has the molecular formula C23H17N3O3 and a molecular weight of 383.41 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-6-methyl-2-pyridin-2-ylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-6-methyl-2-pyridin-2-ylquinoline-4-carboxamide
PubChem CID1261604
Molecular FormulaC23H17N3O3
Molecular Weight383.41 g/mol
Exact Mass383.13
IUPAC NameN-(1,3-benzodioxol-5-yl)-6-methyl-2-pyridin-2-ylquinoline-4-carboxamide
SMILESCc1ccc2nc(-c3ccccn3)cc(C(=O)Nc3ccc4c(c3)OCO4)c2c1
InChIInChI=1S/C23H17N3O3/c1-14-5-7-18-16(10-14)17(12-20(26-18)19-4-2-3-9-24-19)23(27)25-15-6-8-21-22(11-15)29-13-28-21/h2-12H,13H2,1H3,(H,25,27)
InChIKeySJBFKBQILMSIGJ-UHFFFAOYSA-N
XLogP4.59
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.41
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(1,3-benzodioxol-5-yl)-6-methyl-2-pyridin-2-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-(1,3-benzodioxol-5-yl)-6-methyl-2-pyridin-2-ylquinoline-4-carboxamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-6-methyl-2-pyridin-2-ylquinoline-4-carboxamide (CID 1261604) is N-(1,3-benzodioxol-5-yl)-6-methyl-2-pyridin-2-ylquinoline-4-carboxamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-6-methyl-2-pyridin-2-ylquinoline-4-carboxamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-6-methyl-2-pyridin-2-ylquinoline-4-carboxamide is Cc1ccc2nc(-c3ccccn3)cc(C(=O)Nc3ccc4c(c3)OCO4)c2c1.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-6-methyl-2-pyridin-2-ylquinoline-4-carboxamide?
The InChIKey is SJBFKBQILMSIGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17N3O3/c1-14-5-7-18-16(10-14)17(12-20(26-18)19-4-2-3-9-24-19)23(27)25-15-6-8-21-22(11-15)29-13-28-21/h2-12H,13H2,1H3,(H,25,27).
What are the key properties of N-(1,3-benzodioxol-5-yl)-6-methyl-2-pyridin-2-ylquinoline-4-carboxamide?
N-(1,3-benzodioxol-5-yl)-6-methyl-2-pyridin-2-ylquinoline-4-carboxamide has a molecular weight of 383.41 g/mol, XLogP of 4.59, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-6-methyl-2-pyridin-2-ylquinoline-4-carboxamide is sourced from PubChem (CID 1261604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).