N-[2-(4-methylphenyl)ethyl]-2-pyridin-3-ylquinoline-4-carboxamide

C24H21N3O — CID 4107904

IUPACN-[2-(4-methylphenyl)ethyl]-2-pyridin-3-ylquinoline-4-carboxamide
SMILESCc1ccc(CCNC(=O)c2cc(-c3cccnc3)nc3ccccc23)cc1
InChIInChI=1S/C24H21N3O/c1-17-8-10-18(11-9-17)12-14-26-24(28)21-15-23(19-5-4-13-25-16-19)27-22-7-3-2-6-20(21)22/h2-11,13,15-16H,12,14H2,1H3,(H,26,28)
InChIKeyLZOTYZYQXQDOMV-UHFFFAOYSA-N
MW367.45 g/mol
LogP4.58
Rot. Bonds5

About N-[2-(4-methylphenyl)ethyl]-2-pyridin-3-ylquinoline-4-carboxamide

N-[2-(4-methylphenyl)ethyl]-2-pyridin-3-ylquinoline-4-carboxamide (PubChem CID 4107904) has the molecular formula C24H21N3O and a molecular weight of 367.45 g/mol. Its IUPAC name is N-[2-(4-methylphenyl)ethyl]-2-pyridin-3-ylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-[2-(4-methylphenyl)ethyl]-2-pyridin-3-ylquinoline-4-carboxamide
PubChem CID4107904
Molecular FormulaC24H21N3O
Molecular Weight367.45 g/mol
Exact Mass367.17
IUPAC NameN-[2-(4-methylphenyl)ethyl]-2-pyridin-3-ylquinoline-4-carboxamide
SMILESCc1ccc(CCNC(=O)c2cc(-c3cccnc3)nc3ccccc23)cc1
InChIInChI=1S/C24H21N3O/c1-17-8-10-18(11-9-17)12-14-26-24(28)21-15-23(19-5-4-13-25-16-19)27-22-7-3-2-6-20(21)22/h2-11,13,15-16H,12,14H2,1H3,(H,26,28)
InChIKeyLZOTYZYQXQDOMV-UHFFFAOYSA-N
XLogP4.58
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[2-(4-methylphenyl)ethyl]-2-pyridin-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

Related Compounds

N-[3-(4-hydroxyphenyl)propyl]-2-pyridin-3-ylquinoline-4-carboxamide
CID 86972801
N-[2-[4-(difluoromethoxy)phenyl]ethyl]-2-pyridin-3-ylquinoline-4-carboxamide
CID 55385131
N-[2-(4-methylphenoxy)ethyl]-2-pyridin-3-ylquinoline-4-carboxamide
CID 24681313
N-[2-(2-fluorophenyl)ethyl]-2-pyridin-3-ylquinoline-4-carboxamide
CID 27847926
N-(2-phenylethyl)-2-pyridin-4-ylquinoline-4-carboxamide
CID 4082729
N-[2-(2-methoxyphenyl)ethyl]-2-pyridin-3-ylquinoline-4-carboxamide
CID 27756972
N-[2-(4-methoxyphenyl)ethyl]-2-pyrimidin-5-ylquinoline-4-carboxamide
CID 45099957
2-pyridin-3-yl-N-(pyridin-4-ylmethyl)quinoline-4-carboxamide
CID 24538422
N-methyl-2-pyridin-3-ylquinoline-4-carboxamide
CID 53007972
N-(3-butoxypropyl)-2-pyridin-3-ylquinoline-4-carboxamide
CID 27682804
N-[2-(4-methylphenyl)ethyl]-2-(4-methylphenyl)sulfanylquinoline-4-carboxamide
CID 3491620
N-[(4-propan-2-yloxyphenyl)methyl]-2-pyridin-3-ylquinoline-4-carboxamide
CID 50798269

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methylphenyl)ethyl]-2-pyridin-3-ylquinoline-4-carboxamide?
The IUPAC name of N-[2-(4-methylphenyl)ethyl]-2-pyridin-3-ylquinoline-4-carboxamide (CID 4107904) is N-[2-(4-methylphenyl)ethyl]-2-pyridin-3-ylquinoline-4-carboxamide.
What is the SMILES notation for N-[2-(4-methylphenyl)ethyl]-2-pyridin-3-ylquinoline-4-carboxamide?
The canonical SMILES for N-[2-(4-methylphenyl)ethyl]-2-pyridin-3-ylquinoline-4-carboxamide is Cc1ccc(CCNC(=O)c2cc(-c3cccnc3)nc3ccccc23)cc1.
What is the InChIKey of N-[2-(4-methylphenyl)ethyl]-2-pyridin-3-ylquinoline-4-carboxamide?
The InChIKey is LZOTYZYQXQDOMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O/c1-17-8-10-18(11-9-17)12-14-26-24(28)21-15-23(19-5-4-13-25-16-19)27-22-7-3-2-6-20(21)22/h2-11,13,15-16H,12,14H2,1H3,(H,26,28).
What are the key properties of N-[2-(4-methylphenyl)ethyl]-2-pyridin-3-ylquinoline-4-carboxamide?
N-[2-(4-methylphenyl)ethyl]-2-pyridin-3-ylquinoline-4-carboxamide has a molecular weight of 367.45 g/mol, XLogP of 4.58, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methylphenyl)ethyl]-2-pyridin-3-ylquinoline-4-carboxamide is sourced from PubChem (CID 4107904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).