N,6-dimethyl-2-phenyl-N-(2-pyrrolidin-1-ylethyl)quinoline-4-carboxamide

C24H27N3O — CID 166190703

IUPACN,6-dimethyl-2-phenyl-N-(2-pyrrolidin-1-ylethyl)quinoline-4-carboxamide
SMILESCc1ccc2nc(-c3ccccc3)cc(C(=O)N(C)CCN3CCCC3)c2c1
InChIInChI=1S/C24H27N3O/c1-18-10-11-22-20(16-18)21(17-23(25-22)19-8-4-3-5-9-19)24(28)26(2)14-15-27-12-6-7-13-27/h3-5,8-11,16-17H,6-7,12-15H2,1-2H3
InChIKeyIUJIASLIPQKHAD-UHFFFAOYSA-N
MW373.50 g/mol
LogP4.38
Rot. Bonds5

About N,6-dimethyl-2-phenyl-N-(2-pyrrolidin-1-ylethyl)quinoline-4-carboxamide

N,6-dimethyl-2-phenyl-N-(2-pyrrolidin-1-ylethyl)quinoline-4-carboxamide (PubChem CID 166190703) has the molecular formula C24H27N3O and a molecular weight of 373.50 g/mol. Its IUPAC name is N,6-dimethyl-2-phenyl-N-(2-pyrrolidin-1-ylethyl)quinoline-4-carboxamide.

Molecular Properties

Compound NameN,6-dimethyl-2-phenyl-N-(2-pyrrolidin-1-ylethyl)quinoline-4-carboxamide
PubChem CID166190703
Molecular FormulaC24H27N3O
Molecular Weight373.50 g/mol
Exact Mass373.22
IUPAC NameN,6-dimethyl-2-phenyl-N-(2-pyrrolidin-1-ylethyl)quinoline-4-carboxamide
SMILESCc1ccc2nc(-c3ccccc3)cc(C(=O)N(C)CCN3CCCC3)c2c1
InChIInChI=1S/C24H27N3O/c1-18-10-11-22-20(16-18)21(17-23(25-22)19-8-4-3-5-9-19)24(28)26(2)14-15-27-12-6-7-13-27/h3-5,8-11,16-17H,6-7,12-15H2,1-2H3
InChIKeyIUJIASLIPQKHAD-UHFFFAOYSA-N
XLogP4.38
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N,6-dimethyl-2-phenyl-N-(2-pyrrolidin-1-ylethyl)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 N,6-dimethyl-2-phenyl-N-(2-pyrrolidin-1-ylethyl)quinoline-4-carboxamide?
The IUPAC name of N,6-dimethyl-2-phenyl-N-(2-pyrrolidin-1-ylethyl)quinoline-4-carboxamide (CID 166190703) is N,6-dimethyl-2-phenyl-N-(2-pyrrolidin-1-ylethyl)quinoline-4-carboxamide.
What is the SMILES notation for N,6-dimethyl-2-phenyl-N-(2-pyrrolidin-1-ylethyl)quinoline-4-carboxamide?
The canonical SMILES for N,6-dimethyl-2-phenyl-N-(2-pyrrolidin-1-ylethyl)quinoline-4-carboxamide is Cc1ccc2nc(-c3ccccc3)cc(C(=O)N(C)CCN3CCCC3)c2c1.
What is the InChIKey of N,6-dimethyl-2-phenyl-N-(2-pyrrolidin-1-ylethyl)quinoline-4-carboxamide?
The InChIKey is IUJIASLIPQKHAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O/c1-18-10-11-22-20(16-18)21(17-23(25-22)19-8-4-3-5-9-19)24(28)26(2)14-15-27-12-6-7-13-27/h3-5,8-11,16-17H,6-7,12-15H2,1-2H3.
What are the key properties of N,6-dimethyl-2-phenyl-N-(2-pyrrolidin-1-ylethyl)quinoline-4-carboxamide?
N,6-dimethyl-2-phenyl-N-(2-pyrrolidin-1-ylethyl)quinoline-4-carboxamide has a molecular weight of 373.50 g/mol, XLogP of 4.38, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,6-dimethyl-2-phenyl-N-(2-pyrrolidin-1-ylethyl)quinoline-4-carboxamide is sourced from PubChem (CID 166190703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).