2-(3,4-dimethylphenyl)-N-[4-[[2-(3,4-dimethylphenyl)quinoline-4-carbonyl]amino]phenyl]quinoline-4-carboxamide

C42H34N4O2 — CID 4144858

IUPAC2-(3,4-dimethylphenyl)-N-[4-[[2-(3,4-dimethylphenyl)quinoline-4-carbonyl]amino]phenyl]quinoline-4-carboxamide
SMILESCc1ccc(-c2cc(C(=O)Nc3ccc(NC(=O)c4cc(-c5ccc(C)c(C)c5)nc5ccccc45)cc3)c3ccccc3n2)cc1C
InChIInChI=1S/C42H34N4O2/c1-25-13-15-29(21-27(25)3)39-23-35(33-9-5-7-11-37(33)45-39)41(47)43-31-17-19-32(20-18-31)44-42(48)36-24-40(30-16-14-26(2)28(4)22-30)46-38-12-8-6-10-34(36)38/h5-24H,1-4H3,(H,43,47)(H,44,48)
InChIKeyXCDLEYJSZQDHDP-UHFFFAOYSA-N
MW626.76 g/mol
LogP9.86
Rot. Bonds6

About 2-(3,4-dimethylphenyl)-N-[4-[[2-(3,4-dimethylphenyl)quinoline-4-carbonyl]amino]phenyl]quinoline-4-carboxamide

2-(3,4-dimethylphenyl)-N-[4-[[2-(3,4-dimethylphenyl)quinoline-4-carbonyl]amino]phenyl]quinoline-4-carboxamide (PubChem CID 4144858) has the molecular formula C42H34N4O2 and a molecular weight of 626.76 g/mol. Its IUPAC name is 2-(3,4-dimethylphenyl)-N-[4-[[2-(3,4-dimethylphenyl)quinoline-4-carbonyl]amino]phenyl]quinoline-4-carboxamide.

Molecular Properties

Compound Name2-(3,4-dimethylphenyl)-N-[4-[[2-(3,4-dimethylphenyl)quinoline-4-carbonyl]amino]phenyl]quinoline-4-carboxamide
PubChem CID4144858
Molecular FormulaC42H34N4O2
Molecular Weight626.76 g/mol
Exact Mass626.27
IUPAC Name2-(3,4-dimethylphenyl)-N-[4-[[2-(3,4-dimethylphenyl)quinoline-4-carbonyl]amino]phenyl]quinoline-4-carboxamide
SMILESCc1ccc(-c2cc(C(=O)Nc3ccc(NC(=O)c4cc(-c5ccc(C)c(C)c5)nc5ccccc45)cc3)c3ccccc3n2)cc1C
InChIInChI=1S/C42H34N4O2/c1-25-13-15-29(21-27(25)3)39-23-35(33-9-5-7-11-37(33)45-39)41(47)43-31-17-19-32(20-18-31)44-42(48)36-24-40(30-16-14-26(2)28(4)22-30)46-38-12-8-6-10-34(36)38/h5-24H,1-4H3,(H,43,47)(H,44,48)
InChIKeyXCDLEYJSZQDHDP-UHFFFAOYSA-N
XLogP9.86
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500626.76
LogP ≤ 59.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-acetamidophenyl)-2-(4-methylphenyl)quinoline-4-carboxamide
CID 4863526
2-(3,4-dimethylphenyl)-N-(6-methyl-2-pyridinyl)quinoline-4-carboxamide
CID 4060767
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(3,4-dimethylphenyl)quinoline-4-carboxamide
CID 5054651
2-(3,4-dimethylphenyl)-N-(1H-pyrazol-5-yl)quinoline-4-carboxamide
CID 70789439
2-(4-acetamidophenyl)-N-(2-methylphenyl)quinoline-4-carboxamide
CID 50816172
2-(3,4-dimethoxyphenyl)-N-(4-methoxyphenyl)quinoline-4-carboxamide
CID 4557332
N-(4-bromo-2-fluorophenyl)-2-(3,4-dimethylphenyl)quinoline-4-carboxamide
CID 4685628
2-(3,4-dichlorophenyl)-N-(4-propan-2-ylphenyl)quinoline-4-carboxamide
CID 4149905
N-(4-methoxyphenyl)-2-phenylquinoline-4-carboxamide
CID 1035332
N-(4-carbamoyl-3-methylphenyl)-2-(3,4-dimethoxyphenyl)quinoline-4-carboxamide
CID 56516872
N-(3,4-difluorophenyl)-2-(4-methylphenyl)quinoline-4-carboxamide
CID 1012287
2-(3-methylphenyl)-N-(4-phenyldiazenylphenyl)quinoline-4-carboxamide
CID 4657048

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylphenyl)-N-[4-[[2-(3,4-dimethylphenyl)quinoline-4-carbonyl]amino]phenyl]quinoline-4-carboxamide?
The IUPAC name of 2-(3,4-dimethylphenyl)-N-[4-[[2-(3,4-dimethylphenyl)quinoline-4-carbonyl]amino]phenyl]quinoline-4-carboxamide (CID 4144858) is 2-(3,4-dimethylphenyl)-N-[4-[[2-(3,4-dimethylphenyl)quinoline-4-carbonyl]amino]phenyl]quinoline-4-carboxamide.
What is the SMILES notation for 2-(3,4-dimethylphenyl)-N-[4-[[2-(3,4-dimethylphenyl)quinoline-4-carbonyl]amino]phenyl]quinoline-4-carboxamide?
The canonical SMILES for 2-(3,4-dimethylphenyl)-N-[4-[[2-(3,4-dimethylphenyl)quinoline-4-carbonyl]amino]phenyl]quinoline-4-carboxamide is Cc1ccc(-c2cc(C(=O)Nc3ccc(NC(=O)c4cc(-c5ccc(C)c(C)c5)nc5ccccc45)cc3)c3ccccc3n2)cc1C.
What is the InChIKey of 2-(3,4-dimethylphenyl)-N-[4-[[2-(3,4-dimethylphenyl)quinoline-4-carbonyl]amino]phenyl]quinoline-4-carboxamide?
The InChIKey is XCDLEYJSZQDHDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H34N4O2/c1-25-13-15-29(21-27(25)3)39-23-35(33-9-5-7-11-37(33)45-39)41(47)43-31-17-19-32(20-18-31)44-42(48)36-24-40(30-16-14-26(2)28(4)22-30)46-38-12-8-6-10-34(36)38/h5-24H,1-4H3,(H,43,47)(H,44,48).
What are the key properties of 2-(3,4-dimethylphenyl)-N-[4-[[2-(3,4-dimethylphenyl)quinoline-4-carbonyl]amino]phenyl]quinoline-4-carboxamide?
2-(3,4-dimethylphenyl)-N-[4-[[2-(3,4-dimethylphenyl)quinoline-4-carbonyl]amino]phenyl]quinoline-4-carboxamide has a molecular weight of 626.76 g/mol, XLogP of 9.86, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylphenyl)-N-[4-[[2-(3,4-dimethylphenyl)quinoline-4-carbonyl]amino]phenyl]quinoline-4-carboxamide is sourced from PubChem (CID 4144858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).