2-(4-methoxyphenyl)-N-[4-[[2-(4-methoxyphenyl)quinoline-4-carbonyl]amino]butyl]quinoline-4-carboxamide

C38H34N4O4 — CID 3631336

IUPAC2-(4-methoxyphenyl)-N-[4-[[2-(4-methoxyphenyl)quinoline-4-carbonyl]amino]butyl]quinoline-4-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)NCCCCNC(=O)c3cc(-c4ccc(OC)cc4)nc4ccccc34)c3ccccc3n2)cc1
InChIInChI=1S/C38H34N4O4/c1-45-27-17-13-25(14-18-27)35-23-31(29-9-3-5-11-33(29)41-35)37(43)39-21-7-8-22-40-38(44)32-24-36(26-15-19-28(46-2)20-16-26)42-34-12-6-4-10-30(32)34/h3-6,9-20,23-24H,7-8,21-22H2,1-2H3,(H,39,43)(H,40,44)
InChIKeyIMUHFJRVFFIKQE-UHFFFAOYSA-N
MW610.71 g/mol
LogP7.07
Rot. Bonds11

About 2-(4-methoxyphenyl)-N-[4-[[2-(4-methoxyphenyl)quinoline-4-carbonyl]amino]butyl]quinoline-4-carboxamide

2-(4-methoxyphenyl)-N-[4-[[2-(4-methoxyphenyl)quinoline-4-carbonyl]amino]butyl]quinoline-4-carboxamide (PubChem CID 3631336) has the molecular formula C38H34N4O4 and a molecular weight of 610.71 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-N-[4-[[2-(4-methoxyphenyl)quinoline-4-carbonyl]amino]butyl]quinoline-4-carboxamide.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-N-[4-[[2-(4-methoxyphenyl)quinoline-4-carbonyl]amino]butyl]quinoline-4-carboxamide
PubChem CID3631336
Molecular FormulaC38H34N4O4
Molecular Weight610.71 g/mol
Exact Mass610.26
IUPAC Name2-(4-methoxyphenyl)-N-[4-[[2-(4-methoxyphenyl)quinoline-4-carbonyl]amino]butyl]quinoline-4-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)NCCCCNC(=O)c3cc(-c4ccc(OC)cc4)nc4ccccc34)c3ccccc3n2)cc1
InChIInChI=1S/C38H34N4O4/c1-45-27-17-13-25(14-18-27)35-23-31(29-9-3-5-11-33(29)41-35)37(43)39-21-7-8-22-40-38(44)32-24-36(26-15-19-28(46-2)20-16-26)42-34-12-6-4-10-30(32)34/h3-6,9-20,23-24H,7-8,21-22H2,1-2H3,(H,39,43)(H,40,44)
InChIKeyIMUHFJRVFFIKQE-UHFFFAOYSA-N
XLogP7.07
TPSA102.44 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500610.71
LogP ≤ 57.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-(4-methoxyphenyl)-N-[4-[[2-(4-methoxyphenyl)quinoline-4-carbonyl]amino]butyl]quinoline-4-carboxamide with MolForge

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Related Compounds

2-(4-methoxyphenyl)-N-(3-methoxypropyl)quinoline-4-carboxamide
CID 2078342
2-(4-methoxyphenyl)-N-[3-[methyl(methylsulfonyl)amino]propyl]quinoline-4-carboxamide
CID 46480420
2-(4-methoxyphenyl)-N-[[3-[[[2-(4-methoxyphenyl)quinoline-4-carbonyl]amino]methyl]phenyl]methyl]quinoline-4-carboxamide
CID 5101494
2-(4-ethoxyphenyl)-N-[2-(4-methoxyphenoxy)ethyl]quinoline-4-carboxamide
CID 46098671
N-hexyl-2-(3-methoxyphenyl)quinoline-4-carboxamide
CID 4540547
1-[[2-(4-methoxyphenyl)quinoline-4-carbonyl]amino]-3-pentylthiourea
CID 9220474
N-[2-(2-methoxyethylamino)-2-oxoethyl]-2-(4-methoxyphenyl)quinoline-4-carboxamide
CID 24542876
N-dodecyl-2-phenylquinoline-4-carboxamide
CID 4169141
N-[2-(ethylamino)-2-oxoethyl]-2-(4-methoxyphenyl)quinoline-4-carboxamide
CID 9224382
2-(4-methoxyphenyl)-N-(pyridin-4-ylmethyl)quinoline-4-carboxamide
CID 2666564
2-(4-methoxyphenyl)-N-[(2R)-2-[[2-(4-methoxyphenyl)quinoline-4-carbonyl]amino]propyl]quinoline-4-carboxamide
CID 2165480
2-(4-methoxyphenyl)-6-methyl-N-pentylquinoline-4-carboxamide
CID 42749978

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-N-[4-[[2-(4-methoxyphenyl)quinoline-4-carbonyl]amino]butyl]quinoline-4-carboxamide?
The IUPAC name of 2-(4-methoxyphenyl)-N-[4-[[2-(4-methoxyphenyl)quinoline-4-carbonyl]amino]butyl]quinoline-4-carboxamide (CID 3631336) is 2-(4-methoxyphenyl)-N-[4-[[2-(4-methoxyphenyl)quinoline-4-carbonyl]amino]butyl]quinoline-4-carboxamide.
What is the SMILES notation for 2-(4-methoxyphenyl)-N-[4-[[2-(4-methoxyphenyl)quinoline-4-carbonyl]amino]butyl]quinoline-4-carboxamide?
The canonical SMILES for 2-(4-methoxyphenyl)-N-[4-[[2-(4-methoxyphenyl)quinoline-4-carbonyl]amino]butyl]quinoline-4-carboxamide is COc1ccc(-c2cc(C(=O)NCCCCNC(=O)c3cc(-c4ccc(OC)cc4)nc4ccccc34)c3ccccc3n2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-N-[4-[[2-(4-methoxyphenyl)quinoline-4-carbonyl]amino]butyl]quinoline-4-carboxamide?
The InChIKey is IMUHFJRVFFIKQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H34N4O4/c1-45-27-17-13-25(14-18-27)35-23-31(29-9-3-5-11-33(29)41-35)37(43)39-21-7-8-22-40-38(44)32-24-36(26-15-19-28(46-2)20-16-26)42-34-12-6-4-10-30(32)34/h3-6,9-20,23-24H,7-8,21-22H2,1-2H3,(H,39,43)(H,40,44).
What are the key properties of 2-(4-methoxyphenyl)-N-[4-[[2-(4-methoxyphenyl)quinoline-4-carbonyl]amino]butyl]quinoline-4-carboxamide?
2-(4-methoxyphenyl)-N-[4-[[2-(4-methoxyphenyl)quinoline-4-carbonyl]amino]butyl]quinoline-4-carboxamide has a molecular weight of 610.71 g/mol, XLogP of 7.07, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-N-[4-[[2-(4-methoxyphenyl)quinoline-4-carbonyl]amino]butyl]quinoline-4-carboxamide is sourced from PubChem (CID 3631336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).