N-[(1R)-2-(1,3-dioxoisoindol-2-yl)-1-phenylethyl]-2-phenylquinoline-4-carboxamide

C32H23N3O3 — CID 10577234

IUPACN-[(1R)-2-(1,3-dioxoisoindol-2-yl)-1-phenylethyl]-2-phenylquinoline-4-carboxamide
SMILESO=C(N[C@@H](CN1C(=O)c2ccccc2C1=O)c1ccccc1)c1cc(-c2ccccc2)nc2ccccc12
InChIInChI=1S/C32H23N3O3/c36-30(26-19-28(21-11-3-1-4-12-21)33-27-18-10-9-15-23(26)27)34-29(22-13-5-2-6-14-22)20-35-31(37)24-16-7-8-17-25(24)32(35)38/h1-19,29H,20H2,(H,34,36)/t29-/m0/s1
InChIKeyUYNHWIGXVYXEAP-LJAQVGFWSA-N
MW497.55 g/mol
LogP5.67
Rot. Bonds6

About N-[(1R)-2-(1,3-dioxoisoindol-2-yl)-1-phenylethyl]-2-phenylquinoline-4-carboxamide

N-[(1R)-2-(1,3-dioxoisoindol-2-yl)-1-phenylethyl]-2-phenylquinoline-4-carboxamide (PubChem CID 10577234) has the molecular formula C32H23N3O3 and a molecular weight of 497.55 g/mol. Its IUPAC name is N-[(1R)-2-(1,3-dioxoisoindol-2-yl)-1-phenylethyl]-2-phenylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-[(1R)-2-(1,3-dioxoisoindol-2-yl)-1-phenylethyl]-2-phenylquinoline-4-carboxamide
PubChem CID10577234
Molecular FormulaC32H23N3O3
Molecular Weight497.55 g/mol
Exact Mass497.17
IUPAC NameN-[(1R)-2-(1,3-dioxoisoindol-2-yl)-1-phenylethyl]-2-phenylquinoline-4-carboxamide
SMILESO=C(N[C@@H](CN1C(=O)c2ccccc2C1=O)c1ccccc1)c1cc(-c2ccccc2)nc2ccccc12
InChIInChI=1S/C32H23N3O3/c36-30(26-19-28(21-11-3-1-4-12-21)33-27-18-10-9-15-23(26)27)34-29(22-13-5-2-6-14-22)20-35-31(37)24-16-7-8-17-25(24)32(35)38/h1-19,29H,20H2,(H,34,36)/t29-/m0/s1
InChIKeyUYNHWIGXVYXEAP-LJAQVGFWSA-N
XLogP5.67
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500497.55
LogP ≤ 55.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[(1R)-2-(1,3-dioxoisoindol-2-yl)-1-phenylethyl]-2-phenylquinoline-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-(3-hydroxy-1-phenylpropyl)-2-phenylquinoline-4-carboxamide
CID 10714925
N-[1-(4-methylphenyl)propyl]-2-phenylquinoline-4-carboxamide
CID 3306619
2-(3-fluorophenyl)-N-[(1S)-1-phenylpropyl]quinoline-4-carboxamide
CID 11646686
methyl (2R)-2-phenyl-2-[(2-phenylquinoline-4-carbonyl)amino]acetate
CID 6604858
N-(3,3-diphenylpropyl)-2-phenylquinoline-4-carboxamide
CID 3975815
2-(1-ethylpyrazol-4-yl)-N-(1-phenylpropyl)quinoline-4-carboxamide
CID 19518623
N-[2-(dimethylamino)-2-oxo-1-phenylethyl]-2-phenylquinoline-4-carboxamide
CID 10621487
N-(1,2-diphenylethyl)-2-(3-methoxyphenyl)quinoline-4-carboxamide
CID 42749565
N-(2-methyl-1,3-dioxoisoindol-4-yl)-2-phenylquinoline-4-carboxamide
CID 7157915
N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-phenylquinoline-4-carboxamide
CID 15489616
N-[2-[(2-aminophenyl)methylamino]-2-oxo-1-phenylethyl]-2-phenylquinoline-4-carboxamide
CID 67208958
N-[(5-methylfuran-2-yl)-phenylmethyl]-2-phenylquinoline-4-carboxamide
CID 71170471

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-2-(1,3-dioxoisoindol-2-yl)-1-phenylethyl]-2-phenylquinoline-4-carboxamide?
The IUPAC name of N-[(1R)-2-(1,3-dioxoisoindol-2-yl)-1-phenylethyl]-2-phenylquinoline-4-carboxamide (CID 10577234) is N-[(1R)-2-(1,3-dioxoisoindol-2-yl)-1-phenylethyl]-2-phenylquinoline-4-carboxamide.
What is the SMILES notation for N-[(1R)-2-(1,3-dioxoisoindol-2-yl)-1-phenylethyl]-2-phenylquinoline-4-carboxamide?
The canonical SMILES for N-[(1R)-2-(1,3-dioxoisoindol-2-yl)-1-phenylethyl]-2-phenylquinoline-4-carboxamide is O=C(N[C@@H](CN1C(=O)c2ccccc2C1=O)c1ccccc1)c1cc(-c2ccccc2)nc2ccccc12.
What is the InChIKey of N-[(1R)-2-(1,3-dioxoisoindol-2-yl)-1-phenylethyl]-2-phenylquinoline-4-carboxamide?
The InChIKey is UYNHWIGXVYXEAP-LJAQVGFWSA-N. The full InChI is InChI=1S/C32H23N3O3/c36-30(26-19-28(21-11-3-1-4-12-21)33-27-18-10-9-15-23(26)27)34-29(22-13-5-2-6-14-22)20-35-31(37)24-16-7-8-17-25(24)32(35)38/h1-19,29H,20H2,(H,34,36)/t29-/m0/s1.
What are the key properties of N-[(1R)-2-(1,3-dioxoisoindol-2-yl)-1-phenylethyl]-2-phenylquinoline-4-carboxamide?
N-[(1R)-2-(1,3-dioxoisoindol-2-yl)-1-phenylethyl]-2-phenylquinoline-4-carboxamide has a molecular weight of 497.55 g/mol, XLogP of 5.67, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-2-(1,3-dioxoisoindol-2-yl)-1-phenylethyl]-2-phenylquinoline-4-carboxamide is sourced from PubChem (CID 10577234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).