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

C42H34N4O2 — CID 4178944

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

2-(2,4-dimethylphenyl)-N-[2-[[2-(2,4-dimethylphenyl)quinoline-4-carbonyl]amino]phenyl]quinoline-4-carboxamide (PubChem CID 4178944) has the molecular formula C42H34N4O2 and a molecular weight of 626.76 g/mol. Its IUPAC name is 2-(2,4-dimethylphenyl)-N-[2-[[2-(2,4-dimethylphenyl)quinoline-4-carbonyl]amino]phenyl]quinoline-4-carboxamide.

Molecular Properties

• Compound Name: 2-(2,4-dimethylphenyl)-N-[2-[[2-(2,4-dimethylphenyl)quinoline-4-carbonyl]amino]phenyl]quinoline-4-carboxamide
• PubChem CID: 4178944
• Molecular Formula: C42H34N4O2
• Molecular Weight: 626.76 g/mol
• Exact Mass: 626.27
• IUPAC Name: 2-(2,4-dimethylphenyl)-N-[2-[[2-(2,4-dimethylphenyl)quinoline-4-carbonyl]amino]phenyl]quinoline-4-carboxamide
• SMILES: Cc1ccc(-c2cc(C(=O)Nc3ccccc3NC(=O)c3cc(-c4ccc(C)cc4C)nc4ccccc34)c3ccccc3n2)c(C)c1
• InChI: InChI=1S/C42H34N4O2/c1-25-17-19-29(27(3)21-25)39-23-33(31-11-5-7-13-35(31)43-39)41(47)45-37-15-9-10-16-38(37)46-42(48)34-24-40(30-20-18-26(2)22-28(30)4)44-36-14-8-6-12-32(34)36/h5-24H,1-4H3,(H,45,47)(H,46,48)
• InChIKey: SHZJJPDUCLHVDZ-UHFFFAOYSA-N
• XLogP: 9.86
• TPSA: 83.98 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	626.76
LogP ≤ 5	9.86
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylphenyl)-N-[2-[[2-(2,4-dimethylphenyl)quinoline-4-carbonyl]amino]phenyl]quinoline-4-carboxamide?

The IUPAC name of 2-(2,4-dimethylphenyl)-N-[2-[[2-(2,4-dimethylphenyl)quinoline-4-carbonyl]amino]phenyl]quinoline-4-carboxamide (CID 4178944) is 2-(2,4-dimethylphenyl)-N-[2-[[2-(2,4-dimethylphenyl)quinoline-4-carbonyl]amino]phenyl]quinoline-4-carboxamide.

What is the SMILES notation for 2-(2,4-dimethylphenyl)-N-[2-[[2-(2,4-dimethylphenyl)quinoline-4-carbonyl]amino]phenyl]quinoline-4-carboxamide?

The canonical SMILES for 2-(2,4-dimethylphenyl)-N-[2-[[2-(2,4-dimethylphenyl)quinoline-4-carbonyl]amino]phenyl]quinoline-4-carboxamide is Cc1ccc(-c2cc(C(=O)Nc3ccccc3NC(=O)c3cc(-c4ccc(C)cc4C)nc4ccccc34)c3ccccc3n2)c(C)c1.

What is the InChIKey of 2-(2,4-dimethylphenyl)-N-[2-[[2-(2,4-dimethylphenyl)quinoline-4-carbonyl]amino]phenyl]quinoline-4-carboxamide?

The InChIKey is SHZJJPDUCLHVDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H34N4O2/c1-25-17-19-29(27(3)21-25)39-23-33(31-11-5-7-13-35(31)43-39)41(47)45-37-15-9-10-16-38(37)46-42(48)34-24-40(30-20-18-26(2)22-28(30)4)44-36-14-8-6-12-32(34)36/h5-24H,1-4H3,(H,45,47)(H,46,48).

What are the key properties of 2-(2,4-dimethylphenyl)-N-[2-[[2-(2,4-dimethylphenyl)quinoline-4-carbonyl]amino]phenyl]quinoline-4-carboxamide?

2-(2,4-dimethylphenyl)-N-[2-[[2-(2,4-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-(2,4-dimethylphenyl)-N-[2-[[2-(2,4-dimethylphenyl)quinoline-4-carbonyl]amino]phenyl]quinoline-4-carboxamide is sourced from PubChem (CID 4178944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).