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

C37H32N4O4 — CID 2165480

IUPAC2-(4-methoxyphenyl)-N-[(2R)-2-[[2-(4-methoxyphenyl)quinoline-4-carbonyl]amino]propyl]quinoline-4-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)NC[C@@H](C)NC(=O)c3cc(-c4ccc(OC)cc4)nc4ccccc34)c3ccccc3n2)cc1
InChIInChI=1S/C37H32N4O4/c1-23(39-37(43)31-21-35(25-14-18-27(45-3)19-15-25)41-33-11-7-5-9-29(31)33)22-38-36(42)30-20-34(24-12-16-26(44-2)17-13-24)40-32-10-6-4-8-28(30)32/h4-21,23H,22H2,1-3H3,(H,38,42)(H,39,43)/t23-/m1/s1
InChIKeyABWJOIDTWPHNKX-HSZRJFAPSA-N
MW596.69 g/mol
LogP6.68
Rot. Bonds9

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

2-(4-methoxyphenyl)-N-[(2R)-2-[[2-(4-methoxyphenyl)quinoline-4-carbonyl]amino]propyl]quinoline-4-carboxamide (PubChem CID 2165480) has the molecular formula C37H32N4O4 and a molecular weight of 596.69 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-N-[(2R)-2-[[2-(4-methoxyphenyl)quinoline-4-carbonyl]amino]propyl]quinoline-4-carboxamide.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-N-[(2R)-2-[[2-(4-methoxyphenyl)quinoline-4-carbonyl]amino]propyl]quinoline-4-carboxamide
PubChem CID2165480
Molecular FormulaC37H32N4O4
Molecular Weight596.69 g/mol
Exact Mass596.24
IUPAC Name2-(4-methoxyphenyl)-N-[(2R)-2-[[2-(4-methoxyphenyl)quinoline-4-carbonyl]amino]propyl]quinoline-4-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)NC[C@@H](C)NC(=O)c3cc(-c4ccc(OC)cc4)nc4ccccc34)c3ccccc3n2)cc1
InChIInChI=1S/C37H32N4O4/c1-23(39-37(43)31-21-35(25-14-18-27(45-3)19-15-25)41-33-11-7-5-9-29(31)33)22-38-36(42)30-20-34(24-12-16-26(44-2)17-13-24)40-32-10-6-4-8-28(30)32/h4-21,23H,22H2,1-3H3,(H,38,42)(H,39,43)/t23-/m1/s1
InChIKeyABWJOIDTWPHNKX-HSZRJFAPSA-N
XLogP6.68
TPSA102.44 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500596.69
LogP ≤ 56.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

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Related Compounds

2-(4-chlorophenyl)-N-[2-[[2-(4-chlorophenyl)quinoline-4-carbonyl]amino]propyl]quinoline-4-carboxamide
CID 5141556
N-(1-hydroxypropan-2-yl)-2-(6-methoxynaphthalen-2-yl)quinoline-4-carboxamide
CID 112818191
2-(4-methoxyphenyl)-N-[4-[[2-(4-methoxyphenyl)quinoline-4-carbonyl]amino]butyl]quinoline-4-carboxamide
CID 3631336
2-(2-methylphenyl)-N-[2-[[2-(2-methylphenyl)quinoline-4-carbonyl]amino]propyl]quinoline-4-carboxamide
CID 4051739
2-(4-methoxyphenyl)-N-[[3-[[[2-(4-methoxyphenyl)quinoline-4-carbonyl]amino]methyl]phenyl]methyl]quinoline-4-carboxamide
CID 5101494
2-(4-methoxyphenyl)-N-(3-methoxypropyl)quinoline-4-carboxamide
CID 2078342
2-(4-methoxyphenyl)-N'-(2-methylpropanoyl)quinoline-4-carbohydrazide
CID 24542943
N-[2-(2-methoxyethylamino)-2-oxoethyl]-2-(4-methoxyphenyl)quinoline-4-carboxamide
CID 24542876
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-butoxyphenyl)-N-[1-(4-methoxyphenyl)ethyl]quinoline-4-carboxamide
CID 3274863
2-(4-bromophenyl)-N-(2-methylpropyl)quinoline-4-carboxamide
CID 5116892

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-N-[(2R)-2-[[2-(4-methoxyphenyl)quinoline-4-carbonyl]amino]propyl]quinoline-4-carboxamide?
The IUPAC name of 2-(4-methoxyphenyl)-N-[(2R)-2-[[2-(4-methoxyphenyl)quinoline-4-carbonyl]amino]propyl]quinoline-4-carboxamide (CID 2165480) is 2-(4-methoxyphenyl)-N-[(2R)-2-[[2-(4-methoxyphenyl)quinoline-4-carbonyl]amino]propyl]quinoline-4-carboxamide.
What is the SMILES notation for 2-(4-methoxyphenyl)-N-[(2R)-2-[[2-(4-methoxyphenyl)quinoline-4-carbonyl]amino]propyl]quinoline-4-carboxamide?
The canonical SMILES for 2-(4-methoxyphenyl)-N-[(2R)-2-[[2-(4-methoxyphenyl)quinoline-4-carbonyl]amino]propyl]quinoline-4-carboxamide is COc1ccc(-c2cc(C(=O)NC[C@@H](C)NC(=O)c3cc(-c4ccc(OC)cc4)nc4ccccc34)c3ccccc3n2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-N-[(2R)-2-[[2-(4-methoxyphenyl)quinoline-4-carbonyl]amino]propyl]quinoline-4-carboxamide?
The InChIKey is ABWJOIDTWPHNKX-HSZRJFAPSA-N. The full InChI is InChI=1S/C37H32N4O4/c1-23(39-37(43)31-21-35(25-14-18-27(45-3)19-15-25)41-33-11-7-5-9-29(31)33)22-38-36(42)30-20-34(24-12-16-26(44-2)17-13-24)40-32-10-6-4-8-28(30)32/h4-21,23H,22H2,1-3H3,(H,38,42)(H,39,43)/t23-/m1/s1.
What are the key properties of 2-(4-methoxyphenyl)-N-[(2R)-2-[[2-(4-methoxyphenyl)quinoline-4-carbonyl]amino]propyl]quinoline-4-carboxamide?
2-(4-methoxyphenyl)-N-[(2R)-2-[[2-(4-methoxyphenyl)quinoline-4-carbonyl]amino]propyl]quinoline-4-carboxamide has a molecular weight of 596.69 g/mol, XLogP of 6.68, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-N-[(2R)-2-[[2-(4-methoxyphenyl)quinoline-4-carbonyl]amino]propyl]quinoline-4-carboxamide is sourced from PubChem (CID 2165480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).