N-[2-[(4-methylphenyl)methylcarbamoyl]phenyl]-2-phenylquinoline-4-carboxamide

C31H25N3O2 — CID 17320376

IUPACN-[2-[(4-methylphenyl)methylcarbamoyl]phenyl]-2-phenylquinoline-4-carboxamide
SMILESCc1ccc(CNC(=O)c2ccccc2NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc1
InChIInChI=1S/C31H25N3O2/c1-21-15-17-22(18-16-21)20-32-30(35)25-12-6-8-14-28(25)34-31(36)26-19-29(23-9-3-2-4-10-23)33-27-13-7-5-11-24(26)27/h2-19H,20H2,1H3,(H,32,35)(H,34,36)
InChIKeyQLNZNNZPMLCYKK-UHFFFAOYSA-N
MW471.56 g/mol
LogP6.39
Rot. Bonds6

About N-[2-[(4-methylphenyl)methylcarbamoyl]phenyl]-2-phenylquinoline-4-carboxamide

N-[2-[(4-methylphenyl)methylcarbamoyl]phenyl]-2-phenylquinoline-4-carboxamide (PubChem CID 17320376) has the molecular formula C31H25N3O2 and a molecular weight of 471.56 g/mol. Its IUPAC name is N-[2-[(4-methylphenyl)methylcarbamoyl]phenyl]-2-phenylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-[2-[(4-methylphenyl)methylcarbamoyl]phenyl]-2-phenylquinoline-4-carboxamide
PubChem CID17320376
Molecular FormulaC31H25N3O2
Molecular Weight471.56 g/mol
Exact Mass471.19
IUPAC NameN-[2-[(4-methylphenyl)methylcarbamoyl]phenyl]-2-phenylquinoline-4-carboxamide
SMILESCc1ccc(CNC(=O)c2ccccc2NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc1
InChIInChI=1S/C31H25N3O2/c1-21-15-17-22(18-16-21)20-32-30(35)25-12-6-8-14-28(25)34-31(36)26-19-29(23-9-3-2-4-10-23)33-27-13-7-5-11-24(26)27/h2-19H,20H2,1H3,(H,32,35)(H,34,36)
InChIKeyQLNZNNZPMLCYKK-UHFFFAOYSA-N
XLogP6.39
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.56
LogP ≤ 56.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-acetamidophenyl)-N-benzylquinoline-4-carboxamide
CID 50816051
N-(2-methylphenyl)-2-phenylquinoline-4-carboxamide
CID 769490
N-[[4-[(2-amino-2-oxoethyl)carbamoyl]phenyl]methyl]-2-(4-methylphenyl)quinoline-4-carboxamide
CID 46494617
N-[(4-hydroxyphenyl)methyl]-2-pyridin-4-ylquinoline-4-carboxamide
CID 46539313
N-[2,2-dimethyl-3-[[2-(4-methylphenyl)quinoline-4-carbonyl]amino]propyl]-2-(4-methylphenyl)quinoline-4-carboxamide
CID 2334871
N-(2,4-dimethylphenyl)-2-phenylquinoline-4-carboxamide
CID 3480982
N-benzyl-2-pyridin-4-ylquinoline-4-carboxamide
CID 757748
N-(1,3-benzodioxol-5-ylmethyl)-2-(4-methylphenyl)quinoline-4-carboxamide
CID 3532105
N-[[4-(dimethylcarbamoyl)phenyl]methyl]-2-(4-fluorophenyl)quinoline-4-carboxamide
CID 46541669
2-(4-methylphenyl)-N-(pyridin-2-ylmethyl)quinoline-4-carboxamide
CID 1220288
2-phenyl-N-[(4-sulfamoylphenyl)methyl]quinoline-4-carboxamide
CID 1212425
N-(2,3-dimethylphenyl)-2-(4-ethylphenyl)quinoline-4-carboxamide
CID 5141329

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-methylphenyl)methylcarbamoyl]phenyl]-2-phenylquinoline-4-carboxamide?
The IUPAC name of N-[2-[(4-methylphenyl)methylcarbamoyl]phenyl]-2-phenylquinoline-4-carboxamide (CID 17320376) is N-[2-[(4-methylphenyl)methylcarbamoyl]phenyl]-2-phenylquinoline-4-carboxamide.
What is the SMILES notation for N-[2-[(4-methylphenyl)methylcarbamoyl]phenyl]-2-phenylquinoline-4-carboxamide?
The canonical SMILES for N-[2-[(4-methylphenyl)methylcarbamoyl]phenyl]-2-phenylquinoline-4-carboxamide is Cc1ccc(CNC(=O)c2ccccc2NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc1.
What is the InChIKey of N-[2-[(4-methylphenyl)methylcarbamoyl]phenyl]-2-phenylquinoline-4-carboxamide?
The InChIKey is QLNZNNZPMLCYKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H25N3O2/c1-21-15-17-22(18-16-21)20-32-30(35)25-12-6-8-14-28(25)34-31(36)26-19-29(23-9-3-2-4-10-23)33-27-13-7-5-11-24(26)27/h2-19H,20H2,1H3,(H,32,35)(H,34,36).
What are the key properties of N-[2-[(4-methylphenyl)methylcarbamoyl]phenyl]-2-phenylquinoline-4-carboxamide?
N-[2-[(4-methylphenyl)methylcarbamoyl]phenyl]-2-phenylquinoline-4-carboxamide has a molecular weight of 471.56 g/mol, XLogP of 6.39, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-methylphenyl)methylcarbamoyl]phenyl]-2-phenylquinoline-4-carboxamide is sourced from PubChem (CID 17320376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).