N-[2-[(2-aminophenyl)methylamino]-2-oxo-1-phenylethyl]-2-phenylquinoline-4-carboxamide

C31H26N4O2 — CID 67208958

IUPACN-[2-[(2-aminophenyl)methylamino]-2-oxo-1-phenylethyl]-2-phenylquinoline-4-carboxamide
SMILESNc1ccccc1CNC(=O)C(NC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1ccccc1
InChIInChI=1S/C31H26N4O2/c32-26-17-9-7-15-23(26)20-33-31(37)29(22-13-5-2-6-14-22)35-30(36)25-19-28(21-11-3-1-4-12-21)34-27-18-10-8-16-24(25)27/h1-19,29H,20,32H2,(H,33,37)(H,35,36)
InChIKeyPGBDHQSNNZBFNT-UHFFFAOYSA-N
MW486.58 g/mol
LogP5.27
Rot. Bonds7

About N-[2-[(2-aminophenyl)methylamino]-2-oxo-1-phenylethyl]-2-phenylquinoline-4-carboxamide

N-[2-[(2-aminophenyl)methylamino]-2-oxo-1-phenylethyl]-2-phenylquinoline-4-carboxamide (PubChem CID 67208958) has the molecular formula C31H26N4O2 and a molecular weight of 486.58 g/mol. Its IUPAC name is N-[2-[(2-aminophenyl)methylamino]-2-oxo-1-phenylethyl]-2-phenylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-[2-[(2-aminophenyl)methylamino]-2-oxo-1-phenylethyl]-2-phenylquinoline-4-carboxamide
PubChem CID67208958
Molecular FormulaC31H26N4O2
Molecular Weight486.58 g/mol
Exact Mass486.21
IUPAC NameN-[2-[(2-aminophenyl)methylamino]-2-oxo-1-phenylethyl]-2-phenylquinoline-4-carboxamide
SMILESNc1ccccc1CNC(=O)C(NC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1ccccc1
InChIInChI=1S/C31H26N4O2/c32-26-17-9-7-15-23(26)20-33-31(37)29(22-13-5-2-6-14-22)35-30(36)25-19-28(21-11-3-1-4-12-21)34-27-18-10-8-16-24(25)27/h1-19,29H,20,32H2,(H,33,37)(H,35,36)
InChIKeyPGBDHQSNNZBFNT-UHFFFAOYSA-N
XLogP5.27
TPSA97.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.58
LogP ≤ 55.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

methyl (2R)-2-phenyl-2-[(2-phenylquinoline-4-carbonyl)amino]acetate
CID 6604858
N-[2-(dimethylamino)-2-oxo-1-phenylethyl]-2-phenylquinoline-4-carboxamide
CID 10621487
N-(3-hydroxy-1-phenylpropyl)-2-phenylquinoline-4-carboxamide
CID 10714925
N-(3,3-diphenylpropyl)-2-phenylquinoline-4-carboxamide
CID 3975815
N-[2-(benzhydrylamino)-1-(2,4-dichlorophenyl)-2-oxoethyl]-2-phenylquinoline-4-carboxamide
CID 3313797
N-(furan-2-ylmethyl)-2-phenylquinoline-4-carboxamide
CID 2188237
N-[(5-methylfuran-2-yl)-phenylmethyl]-2-phenylquinoline-4-carboxamide
CID 71170471
N-[1-(4-methylphenyl)propyl]-2-phenylquinoline-4-carboxamide
CID 3306619
N-(3-aminopropyl)-2-phenylquinoline-4-carboxamide
CID 162460245
N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-phenylquinoline-4-carboxamide
CID 15489616
N-[(1R)-2-(1,3-dioxoisoindol-2-yl)-1-phenylethyl]-2-phenylquinoline-4-carboxamide
CID 10577234
2-(4-methylphenyl)-N-[(2-sulfamoylphenyl)methyl]quinoline-4-carboxamide
CID 167874087

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-aminophenyl)methylamino]-2-oxo-1-phenylethyl]-2-phenylquinoline-4-carboxamide?
The IUPAC name of N-[2-[(2-aminophenyl)methylamino]-2-oxo-1-phenylethyl]-2-phenylquinoline-4-carboxamide (CID 67208958) is N-[2-[(2-aminophenyl)methylamino]-2-oxo-1-phenylethyl]-2-phenylquinoline-4-carboxamide.
What is the SMILES notation for N-[2-[(2-aminophenyl)methylamino]-2-oxo-1-phenylethyl]-2-phenylquinoline-4-carboxamide?
The canonical SMILES for N-[2-[(2-aminophenyl)methylamino]-2-oxo-1-phenylethyl]-2-phenylquinoline-4-carboxamide is Nc1ccccc1CNC(=O)C(NC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1ccccc1.
What is the InChIKey of N-[2-[(2-aminophenyl)methylamino]-2-oxo-1-phenylethyl]-2-phenylquinoline-4-carboxamide?
The InChIKey is PGBDHQSNNZBFNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H26N4O2/c32-26-17-9-7-15-23(26)20-33-31(37)29(22-13-5-2-6-14-22)35-30(36)25-19-28(21-11-3-1-4-12-21)34-27-18-10-8-16-24(25)27/h1-19,29H,20,32H2,(H,33,37)(H,35,36).
What are the key properties of N-[2-[(2-aminophenyl)methylamino]-2-oxo-1-phenylethyl]-2-phenylquinoline-4-carboxamide?
N-[2-[(2-aminophenyl)methylamino]-2-oxo-1-phenylethyl]-2-phenylquinoline-4-carboxamide has a molecular weight of 486.58 g/mol, XLogP of 5.27, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-aminophenyl)methylamino]-2-oxo-1-phenylethyl]-2-phenylquinoline-4-carboxamide is sourced from PubChem (CID 67208958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).