2-amino-N-[(4-phenylphenyl)methyl]quinoline-3-carboxamide

C23H19N3O — CID 53382850

IUPAC2-amino-N-[(4-phenylphenyl)methyl]quinoline-3-carboxamide
SMILESNc1nc2ccccc2cc1C(=O)NCc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C23H19N3O/c24-22-20(14-19-8-4-5-9-21(19)26-22)23(27)25-15-16-10-12-18(13-11-16)17-6-2-1-3-7-17/h1-14H,15H2,(H2,24,26)(H,25,27)
InChIKeyXMFAEFAZCFUPJW-UHFFFAOYSA-N
MW353.43 g/mol
LogP4.41
Rot. Bonds4

About 2-amino-N-[(4-phenylphenyl)methyl]quinoline-3-carboxamide

2-amino-N-[(4-phenylphenyl)methyl]quinoline-3-carboxamide (PubChem CID 53382850) has the molecular formula C23H19N3O and a molecular weight of 353.43 g/mol. Its IUPAC name is 2-amino-N-[(4-phenylphenyl)methyl]quinoline-3-carboxamide.

Molecular Properties

Compound Name2-amino-N-[(4-phenylphenyl)methyl]quinoline-3-carboxamide
PubChem CID53382850
Molecular FormulaC23H19N3O
Molecular Weight353.43 g/mol
Exact Mass353.15
IUPAC Name2-amino-N-[(4-phenylphenyl)methyl]quinoline-3-carboxamide
SMILESNc1nc2ccccc2cc1C(=O)NCc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C23H19N3O/c24-22-20(14-19-8-4-5-9-21(19)26-22)23(27)25-15-16-10-12-18(13-11-16)17-6-2-1-3-7-17/h1-14H,15H2,(H2,24,26)(H,25,27)
InChIKeyXMFAEFAZCFUPJW-UHFFFAOYSA-N
XLogP4.41
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.43
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-benzylquinoline-3-carboxamide
CID 14177193
methyl N-[[4-[[(2-naphthalen-2-ylquinoline-4-carbonyl)amino]methyl]phenyl]methyl]carbamate
CID 18729745
2-phenyl-N-[(4-sulfamoylphenyl)methyl]quinoline-4-carboxamide
CID 1212425
N-[2-[(4-methylphenyl)methylcarbamoyl]phenyl]-2-phenylquinoline-4-carboxamide
CID 17320376
N-benzyl-3-methyl-4-phenylnaphthalene-2-carboxamide
CID 11783108
2-amino-N-benzyl-5-hydroxybenzamide
CID 54594052
2-amino-N-benzyl-5-oxochromeno[2,3-b]pyridine-3-carboxamide
CID 4914849
N-[(4-methylphenyl)methyl]-4-phenylbenzamide
CID 1228171
N-[[4-(aminomethyl)phenyl]methyl]-2-(4-phenylphenyl)acetamide
CID 71584523
6-chloro-N-[(4-chlorophenyl)methyl]-2-phenylquinoline-4-carboxamide
CID 4632644
N-[(4-hydroxyphenyl)methyl]-2-pyridin-4-ylquinoline-4-carboxamide
CID 46539313
4-(3-aminopyrazin-2-yl)-N-benzyl-2-fluorobenzamide
CID 134503879

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(4-phenylphenyl)methyl]quinoline-3-carboxamide?
The IUPAC name of 2-amino-N-[(4-phenylphenyl)methyl]quinoline-3-carboxamide (CID 53382850) is 2-amino-N-[(4-phenylphenyl)methyl]quinoline-3-carboxamide.
What is the SMILES notation for 2-amino-N-[(4-phenylphenyl)methyl]quinoline-3-carboxamide?
The canonical SMILES for 2-amino-N-[(4-phenylphenyl)methyl]quinoline-3-carboxamide is Nc1nc2ccccc2cc1C(=O)NCc1ccc(-c2ccccc2)cc1.
What is the InChIKey of 2-amino-N-[(4-phenylphenyl)methyl]quinoline-3-carboxamide?
The InChIKey is XMFAEFAZCFUPJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O/c24-22-20(14-19-8-4-5-9-21(19)26-22)23(27)25-15-16-10-12-18(13-11-16)17-6-2-1-3-7-17/h1-14H,15H2,(H2,24,26)(H,25,27).
What are the key properties of 2-amino-N-[(4-phenylphenyl)methyl]quinoline-3-carboxamide?
2-amino-N-[(4-phenylphenyl)methyl]quinoline-3-carboxamide has a molecular weight of 353.43 g/mol, XLogP of 4.41, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(4-phenylphenyl)methyl]quinoline-3-carboxamide is sourced from PubChem (CID 53382850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).