N-ethyl-8-methyl-2-(2-methylpyrimidin-5-yl)-N-(pyridin-2-ylmethyl)quinoline-4-carboxamide

C24H23N5O — CID 46997710

IUPACN-ethyl-8-methyl-2-(2-methylpyrimidin-5-yl)-N-(pyridin-2-ylmethyl)quinoline-4-carboxamide
SMILESCCN(Cc1ccccn1)C(=O)c1cc(-c2cnc(C)nc2)nc2c(C)cccc12
InChIInChI=1S/C24H23N5O/c1-4-29(15-19-9-5-6-11-25-19)24(30)21-12-22(18-13-26-17(3)27-14-18)28-23-16(2)8-7-10-20(21)23/h5-14H,4,15H2,1-3H3
InChIKeyJOXWOQIBDKZKRT-UHFFFAOYSA-N
MW397.48 g/mol
LogP4.37
Rot. Bonds5

About N-ethyl-8-methyl-2-(2-methylpyrimidin-5-yl)-N-(pyridin-2-ylmethyl)quinoline-4-carboxamide

N-ethyl-8-methyl-2-(2-methylpyrimidin-5-yl)-N-(pyridin-2-ylmethyl)quinoline-4-carboxamide (PubChem CID 46997710) has the molecular formula C24H23N5O and a molecular weight of 397.48 g/mol. Its IUPAC name is N-ethyl-8-methyl-2-(2-methylpyrimidin-5-yl)-N-(pyridin-2-ylmethyl)quinoline-4-carboxamide.

Molecular Properties

Compound NameN-ethyl-8-methyl-2-(2-methylpyrimidin-5-yl)-N-(pyridin-2-ylmethyl)quinoline-4-carboxamide
PubChem CID46997710
Molecular FormulaC24H23N5O
Molecular Weight397.48 g/mol
Exact Mass397.19
IUPAC NameN-ethyl-8-methyl-2-(2-methylpyrimidin-5-yl)-N-(pyridin-2-ylmethyl)quinoline-4-carboxamide
SMILESCCN(Cc1ccccn1)C(=O)c1cc(-c2cnc(C)nc2)nc2c(C)cccc12
InChIInChI=1S/C24H23N5O/c1-4-29(15-19-9-5-6-11-25-19)24(30)21-12-22(18-13-26-17(3)27-14-18)28-23-16(2)8-7-10-20(21)23/h5-14H,4,15H2,1-3H3
InChIKeyJOXWOQIBDKZKRT-UHFFFAOYSA-N
XLogP4.37
TPSA71.87 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-ethyl-8-methyl-2-(2-methylpyrimidin-5-yl)-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 N-ethyl-8-methyl-2-(2-methylpyrimidin-5-yl)-N-(pyridin-2-ylmethyl)quinoline-4-carboxamide?
The IUPAC name of N-ethyl-8-methyl-2-(2-methylpyrimidin-5-yl)-N-(pyridin-2-ylmethyl)quinoline-4-carboxamide (CID 46997710) is N-ethyl-8-methyl-2-(2-methylpyrimidin-5-yl)-N-(pyridin-2-ylmethyl)quinoline-4-carboxamide.
What is the SMILES notation for N-ethyl-8-methyl-2-(2-methylpyrimidin-5-yl)-N-(pyridin-2-ylmethyl)quinoline-4-carboxamide?
The canonical SMILES for N-ethyl-8-methyl-2-(2-methylpyrimidin-5-yl)-N-(pyridin-2-ylmethyl)quinoline-4-carboxamide is CCN(Cc1ccccn1)C(=O)c1cc(-c2cnc(C)nc2)nc2c(C)cccc12.
What is the InChIKey of N-ethyl-8-methyl-2-(2-methylpyrimidin-5-yl)-N-(pyridin-2-ylmethyl)quinoline-4-carboxamide?
The InChIKey is JOXWOQIBDKZKRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O/c1-4-29(15-19-9-5-6-11-25-19)24(30)21-12-22(18-13-26-17(3)27-14-18)28-23-16(2)8-7-10-20(21)23/h5-14H,4,15H2,1-3H3.
What are the key properties of N-ethyl-8-methyl-2-(2-methylpyrimidin-5-yl)-N-(pyridin-2-ylmethyl)quinoline-4-carboxamide?
N-ethyl-8-methyl-2-(2-methylpyrimidin-5-yl)-N-(pyridin-2-ylmethyl)quinoline-4-carboxamide has a molecular weight of 397.48 g/mol, XLogP of 4.37, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-8-methyl-2-(2-methylpyrimidin-5-yl)-N-(pyridin-2-ylmethyl)quinoline-4-carboxamide is sourced from PubChem (CID 46997710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).