2-(2,4-dimethoxyphenyl)-N-[4-[[2-(2,4-dimethoxyphenyl)quinoline-4-carbonyl]amino]cyclohexyl]quinoline-4-carboxamide

C42H40N4O6 — CID 3575528

IUPAC2-(2,4-dimethoxyphenyl)-N-[4-[[2-(2,4-dimethoxyphenyl)quinoline-4-carbonyl]amino]cyclohexyl]quinoline-4-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)NC3CCC(NC(=O)c4cc(-c5ccc(OC)cc5OC)nc5ccccc45)CC3)c3ccccc3n2)c(OC)c1
InChIInChI=1S/C42H40N4O6/c1-49-27-17-19-31(39(21-27)51-3)37-23-33(29-9-5-7-11-35(29)45-37)41(47)43-25-13-15-26(16-14-25)44-42(48)34-24-38(46-36-12-8-6-10-30(34)36)32-20-18-28(50-2)22-40(32)52-4/h5-12,17-26H,13-16H2,1-4H3,(H,43,47)(H,44,48)
InChIKeyTXVFDESOYLMLDI-UHFFFAOYSA-N
MW696.80 g/mol
LogP7.62
Rot. Bonds10

About 2-(2,4-dimethoxyphenyl)-N-[4-[[2-(2,4-dimethoxyphenyl)quinoline-4-carbonyl]amino]cyclohexyl]quinoline-4-carboxamide

2-(2,4-dimethoxyphenyl)-N-[4-[[2-(2,4-dimethoxyphenyl)quinoline-4-carbonyl]amino]cyclohexyl]quinoline-4-carboxamide (PubChem CID 3575528) has the molecular formula C42H40N4O6 and a molecular weight of 696.80 g/mol. Its IUPAC name is 2-(2,4-dimethoxyphenyl)-N-[4-[[2-(2,4-dimethoxyphenyl)quinoline-4-carbonyl]amino]cyclohexyl]quinoline-4-carboxamide.

Molecular Properties

Compound Name2-(2,4-dimethoxyphenyl)-N-[4-[[2-(2,4-dimethoxyphenyl)quinoline-4-carbonyl]amino]cyclohexyl]quinoline-4-carboxamide
PubChem CID3575528
Molecular FormulaC42H40N4O6
Molecular Weight696.80 g/mol
Exact Mass696.29
IUPAC Name2-(2,4-dimethoxyphenyl)-N-[4-[[2-(2,4-dimethoxyphenyl)quinoline-4-carbonyl]amino]cyclohexyl]quinoline-4-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)NC3CCC(NC(=O)c4cc(-c5ccc(OC)cc5OC)nc5ccccc45)CC3)c3ccccc3n2)c(OC)c1
InChIInChI=1S/C42H40N4O6/c1-49-27-17-19-31(39(21-27)51-3)37-23-33(29-9-5-7-11-35(29)45-37)41(47)43-25-13-15-26(16-14-25)44-42(48)34-24-38(46-36-12-8-6-10-30(34)36)32-20-18-28(50-2)22-40(32)52-4/h5-12,17-26H,13-16H2,1-4H3,(H,43,47)(H,44,48)
InChIKeyTXVFDESOYLMLDI-UHFFFAOYSA-N
XLogP7.62
TPSA120.90 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500696.80
LogP ≤ 57.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-(2,4-dimethoxyphenyl)-N-[4-[[2-(2,4-dimethoxyphenyl)quinoline-4-carbonyl]amino]cyclohexyl]quinoline-4-carboxamide with MolForge

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Related Compounds

2-(2,4-dimethoxyphenyl)-N-(2-methoxyethyl)quinoline-4-carboxamide
CID 4193084
2-(2,4-dimethoxyphenyl)-N-(3-methylbutan-2-yl)quinoline-4-carboxamide
CID 42749560
2-(2,4-dimethoxyphenyl)-N-heptylquinoline-4-carboxamide
CID 4565614
2-(2,4-dimethoxyphenyl)-N-naphthalen-2-ylquinoline-4-carboxamide
CID 4659976
N-(4-chlorophenyl)-2-(2,4-dimethoxyphenyl)quinoline-4-carboxamide
CID 4150006
N-[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-(2,4-dimethoxyphenyl)quinoline-4-carboxamide
CID 98371540
N-[(1S)-1-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-(2,4-dimethoxyphenyl)quinoline-4-carboxamide
CID 98162028
methyl 4-[[2-(2,4-dimethoxyphenyl)quinoline-4-carbonyl]amino]benzoate
CID 3464523
2-(2,4-dimethoxyphenyl)-N-(2-pyridin-2-ylethyl)quinoline-4-carboxamide
CID 42749556
2-(2,4-dimethoxyphenyl)-N-(3-fluorophenyl)quinoline-4-carboxamide
CID 1000946
2-(2,4-dimethoxyphenyl)-N-(2-methoxy-4-nitrophenyl)quinoline-4-carboxamide
CID 2933028
2-(2,4-dimethoxyphenyl)-N-(4-sulfamoylphenyl)quinoline-4-carboxamide
CID 1010247

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethoxyphenyl)-N-[4-[[2-(2,4-dimethoxyphenyl)quinoline-4-carbonyl]amino]cyclohexyl]quinoline-4-carboxamide?
The IUPAC name of 2-(2,4-dimethoxyphenyl)-N-[4-[[2-(2,4-dimethoxyphenyl)quinoline-4-carbonyl]amino]cyclohexyl]quinoline-4-carboxamide (CID 3575528) is 2-(2,4-dimethoxyphenyl)-N-[4-[[2-(2,4-dimethoxyphenyl)quinoline-4-carbonyl]amino]cyclohexyl]quinoline-4-carboxamide.
What is the SMILES notation for 2-(2,4-dimethoxyphenyl)-N-[4-[[2-(2,4-dimethoxyphenyl)quinoline-4-carbonyl]amino]cyclohexyl]quinoline-4-carboxamide?
The canonical SMILES for 2-(2,4-dimethoxyphenyl)-N-[4-[[2-(2,4-dimethoxyphenyl)quinoline-4-carbonyl]amino]cyclohexyl]quinoline-4-carboxamide is COc1ccc(-c2cc(C(=O)NC3CCC(NC(=O)c4cc(-c5ccc(OC)cc5OC)nc5ccccc45)CC3)c3ccccc3n2)c(OC)c1.
What is the InChIKey of 2-(2,4-dimethoxyphenyl)-N-[4-[[2-(2,4-dimethoxyphenyl)quinoline-4-carbonyl]amino]cyclohexyl]quinoline-4-carboxamide?
The InChIKey is TXVFDESOYLMLDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H40N4O6/c1-49-27-17-19-31(39(21-27)51-3)37-23-33(29-9-5-7-11-35(29)45-37)41(47)43-25-13-15-26(16-14-25)44-42(48)34-24-38(46-36-12-8-6-10-30(34)36)32-20-18-28(50-2)22-40(32)52-4/h5-12,17-26H,13-16H2,1-4H3,(H,43,47)(H,44,48).
What are the key properties of 2-(2,4-dimethoxyphenyl)-N-[4-[[2-(2,4-dimethoxyphenyl)quinoline-4-carbonyl]amino]cyclohexyl]quinoline-4-carboxamide?
2-(2,4-dimethoxyphenyl)-N-[4-[[2-(2,4-dimethoxyphenyl)quinoline-4-carbonyl]amino]cyclohexyl]quinoline-4-carboxamide has a molecular weight of 696.80 g/mol, XLogP of 7.62, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethoxyphenyl)-N-[4-[[2-(2,4-dimethoxyphenyl)quinoline-4-carbonyl]amino]cyclohexyl]quinoline-4-carboxamide is sourced from PubChem (CID 3575528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).