2-(4-methoxyphenyl)-N-[[3-[[[2-(4-methoxyphenyl)quinoline-4-carbonyl]amino]methyl]phenyl]methyl]quinoline-4-carboxamide

C42H34N4O4 — CID 5101494

IUPAC2-(4-methoxyphenyl)-N-[[3-[[[2-(4-methoxyphenyl)quinoline-4-carbonyl]amino]methyl]phenyl]methyl]quinoline-4-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)NCc3cccc(CNC(=O)c4cc(-c5ccc(OC)cc5)nc5ccccc45)c3)c3ccccc3n2)cc1
InChIInChI=1S/C42H34N4O4/c1-49-31-18-14-29(15-19-31)39-23-35(33-10-3-5-12-37(33)45-39)41(47)43-25-27-8-7-9-28(22-27)26-44-42(48)36-24-40(30-16-20-32(50-2)21-17-30)46-38-13-6-4-11-34(36)38/h3-24H,25-26H2,1-2H3,(H,43,47)(H,44,48)
InChIKeyOPKCEPAQDXSRJV-UHFFFAOYSA-N
MW658.76 g/mol
LogP7.99
Rot. Bonds10

About 2-(4-methoxyphenyl)-N-[[3-[[[2-(4-methoxyphenyl)quinoline-4-carbonyl]amino]methyl]phenyl]methyl]quinoline-4-carboxamide

2-(4-methoxyphenyl)-N-[[3-[[[2-(4-methoxyphenyl)quinoline-4-carbonyl]amino]methyl]phenyl]methyl]quinoline-4-carboxamide (PubChem CID 5101494) has the molecular formula C42H34N4O4 and a molecular weight of 658.76 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-N-[[3-[[[2-(4-methoxyphenyl)quinoline-4-carbonyl]amino]methyl]phenyl]methyl]quinoline-4-carboxamide.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-N-[[3-[[[2-(4-methoxyphenyl)quinoline-4-carbonyl]amino]methyl]phenyl]methyl]quinoline-4-carboxamide
PubChem CID5101494
Molecular FormulaC42H34N4O4
Molecular Weight658.76 g/mol
Exact Mass658.26
IUPAC Name2-(4-methoxyphenyl)-N-[[3-[[[2-(4-methoxyphenyl)quinoline-4-carbonyl]amino]methyl]phenyl]methyl]quinoline-4-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)NCc3cccc(CNC(=O)c4cc(-c5ccc(OC)cc5)nc5ccccc45)c3)c3ccccc3n2)cc1
InChIInChI=1S/C42H34N4O4/c1-49-31-18-14-29(15-19-31)39-23-35(33-10-3-5-12-37(33)45-39)41(47)43-25-27-8-7-9-28(22-27)26-44-42(48)36-24-40(30-16-20-32(50-2)21-17-30)46-38-13-6-4-11-34(36)38/h3-24H,25-26H2,1-2H3,(H,43,47)(H,44,48)
InChIKeyOPKCEPAQDXSRJV-UHFFFAOYSA-N
XLogP7.99
TPSA102.44 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500658.76
LogP ≤ 57.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-(4-methoxyphenyl)-N-[[3-[[[2-(4-methoxyphenyl)quinoline-4-carbonyl]amino]methyl]phenyl]methyl]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)-N-(pyridin-4-ylmethyl)quinoline-4-carboxamide
CID 2666564
2-(4-methoxyphenyl)-N-[4-[[2-(4-methoxyphenyl)quinoline-4-carbonyl]amino]butyl]quinoline-4-carboxamide
CID 3631336
2-(4-methoxyphenyl)-N-(3-methoxypropyl)quinoline-4-carboxamide
CID 2078342
N-[2-(ethylamino)-2-oxoethyl]-2-(4-methoxyphenyl)quinoline-4-carboxamide
CID 9224382
[2-(benzylamino)-2-oxoethyl] 2-(4-methoxyphenyl)quinoline-4-carboxylate
CID 2335668
2-(3-methoxyphenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]quinoline-4-carboxamide
CID 42749577
2-(4-methoxyphenyl)-N-[(2R)-2-[[2-(4-methoxyphenyl)quinoline-4-carbonyl]amino]propyl]quinoline-4-carboxamide
CID 2165480
N-[(4-methoxyphenyl)methyl]-2-(2-methylphenyl)quinoline-4-carboxamide
CID 3269613
N-[2-(2-methoxyethylamino)-2-oxoethyl]-2-(4-methoxyphenyl)quinoline-4-carboxamide
CID 24542876
N-[(3,5-dimethoxyphenyl)methyl]-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide
CID 46098754
2-(4-acetamidophenyl)-N-benzylquinoline-4-carboxamide
CID 50816051
2-(2-methylphenyl)-N-[[3-[[[2-(2-methylphenyl)quinoline-4-carbonyl]amino]methyl]phenyl]methyl]quinoline-4-carboxamide
CID 5107909

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-N-[[3-[[[2-(4-methoxyphenyl)quinoline-4-carbonyl]amino]methyl]phenyl]methyl]quinoline-4-carboxamide?
The IUPAC name of 2-(4-methoxyphenyl)-N-[[3-[[[2-(4-methoxyphenyl)quinoline-4-carbonyl]amino]methyl]phenyl]methyl]quinoline-4-carboxamide (CID 5101494) is 2-(4-methoxyphenyl)-N-[[3-[[[2-(4-methoxyphenyl)quinoline-4-carbonyl]amino]methyl]phenyl]methyl]quinoline-4-carboxamide.
What is the SMILES notation for 2-(4-methoxyphenyl)-N-[[3-[[[2-(4-methoxyphenyl)quinoline-4-carbonyl]amino]methyl]phenyl]methyl]quinoline-4-carboxamide?
The canonical SMILES for 2-(4-methoxyphenyl)-N-[[3-[[[2-(4-methoxyphenyl)quinoline-4-carbonyl]amino]methyl]phenyl]methyl]quinoline-4-carboxamide is COc1ccc(-c2cc(C(=O)NCc3cccc(CNC(=O)c4cc(-c5ccc(OC)cc5)nc5ccccc45)c3)c3ccccc3n2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-N-[[3-[[[2-(4-methoxyphenyl)quinoline-4-carbonyl]amino]methyl]phenyl]methyl]quinoline-4-carboxamide?
The InChIKey is OPKCEPAQDXSRJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H34N4O4/c1-49-31-18-14-29(15-19-31)39-23-35(33-10-3-5-12-37(33)45-39)41(47)43-25-27-8-7-9-28(22-27)26-44-42(48)36-24-40(30-16-20-32(50-2)21-17-30)46-38-13-6-4-11-34(36)38/h3-24H,25-26H2,1-2H3,(H,43,47)(H,44,48).
What are the key properties of 2-(4-methoxyphenyl)-N-[[3-[[[2-(4-methoxyphenyl)quinoline-4-carbonyl]amino]methyl]phenyl]methyl]quinoline-4-carboxamide?
2-(4-methoxyphenyl)-N-[[3-[[[2-(4-methoxyphenyl)quinoline-4-carbonyl]amino]methyl]phenyl]methyl]quinoline-4-carboxamide has a molecular weight of 658.76 g/mol, XLogP of 7.99, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-N-[[3-[[[2-(4-methoxyphenyl)quinoline-4-carbonyl]amino]methyl]phenyl]methyl]quinoline-4-carboxamide is sourced from PubChem (CID 5101494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).