2-(4-ethoxyphenyl)-6-methyl-N-(pyridin-3-ylmethyl)quinoline-4-carboxamide

C25H23N3O2 — CID 998766

IUPAC2-(4-ethoxyphenyl)-6-methyl-N-(pyridin-3-ylmethyl)quinoline-4-carboxamide
SMILESCCOc1ccc(-c2cc(C(=O)NCc3cccnc3)c3cc(C)ccc3n2)cc1
InChIInChI=1S/C25H23N3O2/c1-3-30-20-9-7-19(8-10-20)24-14-22(21-13-17(2)6-11-23(21)28-24)25(29)27-16-18-5-4-12-26-15-18/h4-15H,3,16H2,1-2H3,(H,27,29)
InChIKeyZYSJAXXSYCKZBP-UHFFFAOYSA-N
MW397.48 g/mol
LogP4.93
Rot. Bonds6

About 2-(4-ethoxyphenyl)-6-methyl-N-(pyridin-3-ylmethyl)quinoline-4-carboxamide

2-(4-ethoxyphenyl)-6-methyl-N-(pyridin-3-ylmethyl)quinoline-4-carboxamide (PubChem CID 998766) has the molecular formula C25H23N3O2 and a molecular weight of 397.48 g/mol. Its IUPAC name is 2-(4-ethoxyphenyl)-6-methyl-N-(pyridin-3-ylmethyl)quinoline-4-carboxamide.

Molecular Properties

Compound Name2-(4-ethoxyphenyl)-6-methyl-N-(pyridin-3-ylmethyl)quinoline-4-carboxamide
PubChem CID998766
Molecular FormulaC25H23N3O2
Molecular Weight397.48 g/mol
Exact Mass397.18
IUPAC Name2-(4-ethoxyphenyl)-6-methyl-N-(pyridin-3-ylmethyl)quinoline-4-carboxamide
SMILESCCOc1ccc(-c2cc(C(=O)NCc3cccnc3)c3cc(C)ccc3n2)cc1
InChIInChI=1S/C25H23N3O2/c1-3-30-20-9-7-19(8-10-20)24-14-22(21-13-17(2)6-11-23(21)28-24)25(29)27-16-18-5-4-12-26-15-18/h4-15H,3,16H2,1-2H3,(H,27,29)
InChIKeyZYSJAXXSYCKZBP-UHFFFAOYSA-N
XLogP4.93
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(4-ethoxyphenyl)-6-methyl-N-(pyridin-3-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

Related Compounds

2-(4-methoxyphenyl)-6-propan-2-yl-N-(pyridin-3-ylmethyl)quinoline-4-carboxamide
CID 3443765
2-(4-methoxyphenyl)-6-methyl-N-(pyridin-4-ylmethyl)quinoline-4-carboxamide
CID 24717051
6-bromo-2-(4-ethoxyphenyl)-N-[(1-ethylpyrazol-4-yl)methyl]quinoline-4-carboxamide
CID 1225914
N-[2-(4-methylphenoxy)ethyl]-2-pyridin-3-ylquinoline-4-carboxamide
CID 24681313
2-(4-ethoxyphenyl)-N-[(E)-1-pyridin-3-ylethylideneamino]quinoline-4-carboxamide
CID 25237307
2-(3-methoxyphenyl)-6-methyl-N-(pyridin-4-ylmethyl)quinoline-4-carboxamide
CID 42750052
4-ethoxy-N-(pyridin-3-ylmethyl)benzamide
CID 673607
N-[(2-methoxyphenyl)methyl]-6-methyl-2-pyridin-3-ylquinoline-4-carboxamide
CID 50798396
2-(4-ethoxyphenyl)-N-[(E)-pyridin-3-ylmethylideneamino]quinoline-4-carboxamide
CID 25237208
6-methyl-2-(4-phenylmethoxyphenyl)quinoline-4-carboxylic acid
CID 4711644
N-[(4-fluorophenyl)methyl]-6-methyl-2-pyridin-4-ylquinoline-4-carboxamide
CID 4309624
6-ethoxy-2-(4-ethoxyphenyl)quinoline-4-carboxylic acid
CID 3511446

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxyphenyl)-6-methyl-N-(pyridin-3-ylmethyl)quinoline-4-carboxamide?
The IUPAC name of 2-(4-ethoxyphenyl)-6-methyl-N-(pyridin-3-ylmethyl)quinoline-4-carboxamide (CID 998766) is 2-(4-ethoxyphenyl)-6-methyl-N-(pyridin-3-ylmethyl)quinoline-4-carboxamide.
What is the SMILES notation for 2-(4-ethoxyphenyl)-6-methyl-N-(pyridin-3-ylmethyl)quinoline-4-carboxamide?
The canonical SMILES for 2-(4-ethoxyphenyl)-6-methyl-N-(pyridin-3-ylmethyl)quinoline-4-carboxamide is CCOc1ccc(-c2cc(C(=O)NCc3cccnc3)c3cc(C)ccc3n2)cc1.
What is the InChIKey of 2-(4-ethoxyphenyl)-6-methyl-N-(pyridin-3-ylmethyl)quinoline-4-carboxamide?
The InChIKey is ZYSJAXXSYCKZBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O2/c1-3-30-20-9-7-19(8-10-20)24-14-22(21-13-17(2)6-11-23(21)28-24)25(29)27-16-18-5-4-12-26-15-18/h4-15H,3,16H2,1-2H3,(H,27,29).
What are the key properties of 2-(4-ethoxyphenyl)-6-methyl-N-(pyridin-3-ylmethyl)quinoline-4-carboxamide?
2-(4-ethoxyphenyl)-6-methyl-N-(pyridin-3-ylmethyl)quinoline-4-carboxamide has a molecular weight of 397.48 g/mol, XLogP of 4.93, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxyphenyl)-6-methyl-N-(pyridin-3-ylmethyl)quinoline-4-carboxamide is sourced from PubChem (CID 998766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).