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

C37H32N4O2 — CID 4051739

IUPAC2-(2-methylphenyl)-N-[2-[[2-(2-methylphenyl)quinoline-4-carbonyl]amino]propyl]quinoline-4-carboxamide
SMILESCc1ccccc1-c1cc(C(=O)NCC(C)NC(=O)c2cc(-c3ccccc3C)nc3ccccc23)c2ccccc2n1
InChIInChI=1S/C37H32N4O2/c1-23-12-4-6-14-26(23)34-20-30(28-16-8-10-18-32(28)40-34)36(42)38-22-25(3)39-37(43)31-21-35(27-15-7-5-13-24(27)2)41-33-19-11-9-17-29(31)33/h4-21,25H,22H2,1-3H3,(H,38,42)(H,39,43)
InChIKeyFEVMTDKLRSKBCX-UHFFFAOYSA-N
MW564.69 g/mol
LogP7.28
Rot. Bonds7

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

2-(2-methylphenyl)-N-[2-[[2-(2-methylphenyl)quinoline-4-carbonyl]amino]propyl]quinoline-4-carboxamide (PubChem CID 4051739) has the molecular formula C37H32N4O2 and a molecular weight of 564.69 g/mol. Its IUPAC name is 2-(2-methylphenyl)-N-[2-[[2-(2-methylphenyl)quinoline-4-carbonyl]amino]propyl]quinoline-4-carboxamide.

Molecular Properties

Compound Name2-(2-methylphenyl)-N-[2-[[2-(2-methylphenyl)quinoline-4-carbonyl]amino]propyl]quinoline-4-carboxamide
PubChem CID4051739
Molecular FormulaC37H32N4O2
Molecular Weight564.69 g/mol
Exact Mass564.25
IUPAC Name2-(2-methylphenyl)-N-[2-[[2-(2-methylphenyl)quinoline-4-carbonyl]amino]propyl]quinoline-4-carboxamide
SMILESCc1ccccc1-c1cc(C(=O)NCC(C)NC(=O)c2cc(-c3ccccc3C)nc3ccccc23)c2ccccc2n1
InChIInChI=1S/C37H32N4O2/c1-23-12-4-6-14-26(23)34-20-30(28-16-8-10-18-32(28)40-34)36(42)38-22-25(3)39-37(43)31-21-35(27-15-7-5-13-24(27)2)41-33-19-11-9-17-29(31)33/h4-21,25H,22H2,1-3H3,(H,38,42)(H,39,43)
InChIKeyFEVMTDKLRSKBCX-UHFFFAOYSA-N
XLogP7.28
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500564.69
LogP ≤ 57.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(2-methylphenyl)-N-[2-[[2-(2-methylphenyl)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
2-(4-methoxyphenyl)-N-[(2R)-2-[[2-(4-methoxyphenyl)quinoline-4-carbonyl]amino]propyl]quinoline-4-carboxamide
CID 2165480
2-(2-methylphenyl)-N-[[3-[[[2-(2-methylphenyl)quinoline-4-carbonyl]amino]methyl]phenyl]methyl]quinoline-4-carboxamide
CID 5107909
2-(2-methylphenyl)-N-undecylquinoline-4-carboxamide
CID 4162028
N-[(4-methoxyphenyl)methyl]-2-(2-methylphenyl)quinoline-4-carboxamide
CID 3269613
2-(2-methylphenyl)-N-[3-[[2-(2-methylphenyl)quinoline-4-carbonyl]amino]phenyl]quinoline-4-carboxamide
CID 3276867
N-(4-chlorophenyl)-2-(2-methylphenyl)quinoline-4-carboxamide
CID 5069156
2-(2-methylphenyl)-N-[[(2S)-oxolan-2-yl]methyl]quinoline-4-carboxamide
CID 25272573
N-[2-(methylamino)propyl]-2-propan-2-ylquinoline-4-carboxamide
CID 120829996
2-(5-methylfuran-2-yl)-N-(2-methylpropyl)quinoline-4-carboxamide
CID 3421567
2-(1-ethyl-5-methylpyrazol-4-yl)-N-(2-methylpropyl)quinoline-4-carboxamide
CID 19512079
N-[2-[(2-methylbenzoyl)amino]ethyl]-2-phenylquinoline-4-carboxamide
CID 8991019

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylphenyl)-N-[2-[[2-(2-methylphenyl)quinoline-4-carbonyl]amino]propyl]quinoline-4-carboxamide?
The IUPAC name of 2-(2-methylphenyl)-N-[2-[[2-(2-methylphenyl)quinoline-4-carbonyl]amino]propyl]quinoline-4-carboxamide (CID 4051739) is 2-(2-methylphenyl)-N-[2-[[2-(2-methylphenyl)quinoline-4-carbonyl]amino]propyl]quinoline-4-carboxamide.
What is the SMILES notation for 2-(2-methylphenyl)-N-[2-[[2-(2-methylphenyl)quinoline-4-carbonyl]amino]propyl]quinoline-4-carboxamide?
The canonical SMILES for 2-(2-methylphenyl)-N-[2-[[2-(2-methylphenyl)quinoline-4-carbonyl]amino]propyl]quinoline-4-carboxamide is Cc1ccccc1-c1cc(C(=O)NCC(C)NC(=O)c2cc(-c3ccccc3C)nc3ccccc23)c2ccccc2n1.
What is the InChIKey of 2-(2-methylphenyl)-N-[2-[[2-(2-methylphenyl)quinoline-4-carbonyl]amino]propyl]quinoline-4-carboxamide?
The InChIKey is FEVMTDKLRSKBCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H32N4O2/c1-23-12-4-6-14-26(23)34-20-30(28-16-8-10-18-32(28)40-34)36(42)38-22-25(3)39-37(43)31-21-35(27-15-7-5-13-24(27)2)41-33-19-11-9-17-29(31)33/h4-21,25H,22H2,1-3H3,(H,38,42)(H,39,43).
What are the key properties of 2-(2-methylphenyl)-N-[2-[[2-(2-methylphenyl)quinoline-4-carbonyl]amino]propyl]quinoline-4-carboxamide?
2-(2-methylphenyl)-N-[2-[[2-(2-methylphenyl)quinoline-4-carbonyl]amino]propyl]quinoline-4-carboxamide has a molecular weight of 564.69 g/mol, XLogP of 7.28, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylphenyl)-N-[2-[[2-(2-methylphenyl)quinoline-4-carbonyl]amino]propyl]quinoline-4-carboxamide is sourced from PubChem (CID 4051739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).