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

C40H30N4O2 — CID 3276867

IUPAC2-(2-methylphenyl)-N-[3-[[2-(2-methylphenyl)quinoline-4-carbonyl]amino]phenyl]quinoline-4-carboxamide
SMILESCc1ccccc1-c1cc(C(=O)Nc2cccc(NC(=O)c3cc(-c4ccccc4C)nc4ccccc34)c2)c2ccccc2n1
InChIInChI=1S/C40H30N4O2/c1-25-12-3-5-16-29(25)37-23-33(31-18-7-9-20-35(31)43-37)39(45)41-27-14-11-15-28(22-27)42-40(46)34-24-38(30-17-6-4-13-26(30)2)44-36-21-10-8-19-32(34)36/h3-24H,1-2H3,(H,41,45)(H,42,46)
InChIKeyBHKLLCBWOGMIGZ-UHFFFAOYSA-N
MW598.71 g/mol
LogP9.24
Rot. Bonds6

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

2-(2-methylphenyl)-N-[3-[[2-(2-methylphenyl)quinoline-4-carbonyl]amino]phenyl]quinoline-4-carboxamide (PubChem CID 3276867) has the molecular formula C40H30N4O2 and a molecular weight of 598.71 g/mol. Its IUPAC name is 2-(2-methylphenyl)-N-[3-[[2-(2-methylphenyl)quinoline-4-carbonyl]amino]phenyl]quinoline-4-carboxamide.

Molecular Properties

Compound Name2-(2-methylphenyl)-N-[3-[[2-(2-methylphenyl)quinoline-4-carbonyl]amino]phenyl]quinoline-4-carboxamide
PubChem CID3276867
Molecular FormulaC40H30N4O2
Molecular Weight598.71 g/mol
Exact Mass598.24
IUPAC Name2-(2-methylphenyl)-N-[3-[[2-(2-methylphenyl)quinoline-4-carbonyl]amino]phenyl]quinoline-4-carboxamide
SMILESCc1ccccc1-c1cc(C(=O)Nc2cccc(NC(=O)c3cc(-c4ccccc4C)nc4ccccc34)c2)c2ccccc2n1
InChIInChI=1S/C40H30N4O2/c1-25-12-3-5-16-29(25)37-23-33(31-18-7-9-20-35(31)43-37)39(45)41-27-14-11-15-28(22-27)42-40(46)34-24-38(30-17-6-4-13-26(30)2)44-36-21-10-8-19-32(34)36/h3-24H,1-2H3,(H,41,45)(H,42,46)
InChIKeyBHKLLCBWOGMIGZ-UHFFFAOYSA-N
XLogP9.24
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500598.71
LogP ≤ 59.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(2-methylphenyl)-N-[3-[[2-(2-methylphenyl)quinoline-4-carbonyl]amino]phenyl]quinoline-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-chlorophenyl)-2-(2-methylphenyl)quinoline-4-carboxamide
CID 5069156
2-(2-methylphenyl)-N-[[3-[[[2-(2-methylphenyl)quinoline-4-carbonyl]amino]methyl]phenyl]methyl]quinoline-4-carboxamide
CID 5107909
N-[3-(dimethylcarbamoyl)phenyl]-2-(2,4-dimethylphenyl)quinoline-4-carboxamide
CID 32849375
2-(2-chlorophenyl)-N-(2,6-dimethylphenyl)quinoline-4-carboxamide
CID 5128996
2-(2,4-dimethylphenyl)-N-[2-[[2-(2,4-dimethylphenyl)quinoline-4-carbonyl]amino]phenyl]quinoline-4-carboxamide
CID 4178944
N-(3-methylphenyl)-2-(5-methylthiophen-2-yl)quinoline-4-carboxamide
CID 1009474
2-(2-methylphenyl)-N-[2-[[2-(2-methylphenyl)quinoline-4-carbonyl]amino]propyl]quinoline-4-carboxamide
CID 4051739
2-(2-methylphenyl)-N-undecylquinoline-4-carboxamide
CID 4162028
8-chloro-2-(2-methylphenyl)-N-pyridin-4-ylquinoline-4-carboxamide
CID 17371730
N-(3-carbamoyl-4,5-dimethylthiophen-2-yl)-2-(2-methylphenyl)quinoline-4-carboxamide
CID 4296746
N-(2-methylphenyl)-2-phenylquinoline-4-carboxamide
CID 769490
N-[(4-methoxyphenyl)methyl]-2-(2-methylphenyl)quinoline-4-carboxamide
CID 3269613

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylphenyl)-N-[3-[[2-(2-methylphenyl)quinoline-4-carbonyl]amino]phenyl]quinoline-4-carboxamide?
The IUPAC name of 2-(2-methylphenyl)-N-[3-[[2-(2-methylphenyl)quinoline-4-carbonyl]amino]phenyl]quinoline-4-carboxamide (CID 3276867) is 2-(2-methylphenyl)-N-[3-[[2-(2-methylphenyl)quinoline-4-carbonyl]amino]phenyl]quinoline-4-carboxamide.
What is the SMILES notation for 2-(2-methylphenyl)-N-[3-[[2-(2-methylphenyl)quinoline-4-carbonyl]amino]phenyl]quinoline-4-carboxamide?
The canonical SMILES for 2-(2-methylphenyl)-N-[3-[[2-(2-methylphenyl)quinoline-4-carbonyl]amino]phenyl]quinoline-4-carboxamide is Cc1ccccc1-c1cc(C(=O)Nc2cccc(NC(=O)c3cc(-c4ccccc4C)nc4ccccc34)c2)c2ccccc2n1.
What is the InChIKey of 2-(2-methylphenyl)-N-[3-[[2-(2-methylphenyl)quinoline-4-carbonyl]amino]phenyl]quinoline-4-carboxamide?
The InChIKey is BHKLLCBWOGMIGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H30N4O2/c1-25-12-3-5-16-29(25)37-23-33(31-18-7-9-20-35(31)43-37)39(45)41-27-14-11-15-28(22-27)42-40(46)34-24-38(30-17-6-4-13-26(30)2)44-36-21-10-8-19-32(34)36/h3-24H,1-2H3,(H,41,45)(H,42,46).
What are the key properties of 2-(2-methylphenyl)-N-[3-[[2-(2-methylphenyl)quinoline-4-carbonyl]amino]phenyl]quinoline-4-carboxamide?
2-(2-methylphenyl)-N-[3-[[2-(2-methylphenyl)quinoline-4-carbonyl]amino]phenyl]quinoline-4-carboxamide has a molecular weight of 598.71 g/mol, XLogP of 9.24, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylphenyl)-N-[3-[[2-(2-methylphenyl)quinoline-4-carbonyl]amino]phenyl]quinoline-4-carboxamide is sourced from PubChem (CID 3276867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).