2-oxopropyl 2-(4-phenylphenyl)quinoline-4-carboxylate

C25H19NO3 — CID 3948184

IUPAC2-oxopropyl 2-(4-phenylphenyl)quinoline-4-carboxylate
SMILESCC(=O)COC(=O)c1cc(-c2ccc(-c3ccccc3)cc2)nc2ccccc12
InChIInChI=1S/C25H19NO3/c1-17(27)16-29-25(28)22-15-24(26-23-10-6-5-9-21(22)23)20-13-11-19(12-14-20)18-7-3-2-4-8-18/h2-15H,16H2,1H3
InChIKeyXKBGCXFIWTWYLO-UHFFFAOYSA-N
MW381.43 g/mol
LogP5.31
Rot. Bonds5

About 2-oxopropyl 2-(4-phenylphenyl)quinoline-4-carboxylate

2-oxopropyl 2-(4-phenylphenyl)quinoline-4-carboxylate (PubChem CID 3948184) has the molecular formula C25H19NO3 and a molecular weight of 381.43 g/mol. Its IUPAC name is 2-oxopropyl 2-(4-phenylphenyl)quinoline-4-carboxylate.

Molecular Properties

Compound Name2-oxopropyl 2-(4-phenylphenyl)quinoline-4-carboxylate
PubChem CID3948184
Molecular FormulaC25H19NO3
Molecular Weight381.43 g/mol
Exact Mass381.14
IUPAC Name2-oxopropyl 2-(4-phenylphenyl)quinoline-4-carboxylate
SMILESCC(=O)COC(=O)c1cc(-c2ccc(-c3ccccc3)cc2)nc2ccccc12
InChIInChI=1S/C25H19NO3/c1-17(27)16-29-25(28)22-15-24(26-23-10-6-5-9-21(22)23)20-13-11-19(12-14-20)18-7-3-2-4-8-18/h2-15H,16H2,1H3
InChIKeyXKBGCXFIWTWYLO-UHFFFAOYSA-N
XLogP5.31
TPSA56.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.43
LogP ≤ 55.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-oxopropyl 2-(4-phenylphenyl)quinoline-4-carboxylate 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

[2-oxo-2-(4-phenylphenyl)ethyl] 2-(4-methylphenyl)quinoline-4-carboxylate
CID 5076248
2-chloroprop-2-enyl 2-phenylquinoline-4-carboxylate
CID 16569364
[2-(2,5-dimethylphenyl)-2-oxoethyl] 2-(4-phenylphenyl)quinoline-4-carboxylate
CID 3497845
(4-methoxycarbonylphenyl)methyl 2-(4-phenylphenyl)quinoline-4-carboxylate
CID 3995735
prop-2-ynyl 2-(4-methylphenyl)quinoline-4-carboxylate
CID 91689203
(2-morpholin-4-yl-2-oxoethyl) 2-(4-phenylphenyl)quinoline-4-carboxylate
CID 3501639
[2-(4-fluorophenyl)-2-oxoethyl] 2-(4-fluorophenyl)quinoline-4-carboxylate
CID 5037527
[2-oxo-2-(3,4,5-trimethoxyphenyl)ethyl] 2-phenylquinoline-4-carboxylate
CID 23733264
[2-(4-acetyloxyphenyl)-2-oxoethyl] 2-(4-methylphenyl)quinoline-4-carboxylate
CID 126190703
4-chlorobutyl 2-phenylquinoline-4-carboxylate
CID 166607303
(2-phenyl-1,3-thiazol-4-yl)methyl 2-(4-phenylphenyl)quinoline-4-carboxylate
CID 3907572
[2-(benzylamino)-2-oxoethyl] 2-(4-methoxyphenyl)quinoline-4-carboxylate
CID 2335668

Frequently Asked Questions

What is the IUPAC name of 2-oxopropyl 2-(4-phenylphenyl)quinoline-4-carboxylate?
The IUPAC name of 2-oxopropyl 2-(4-phenylphenyl)quinoline-4-carboxylate (CID 3948184) is 2-oxopropyl 2-(4-phenylphenyl)quinoline-4-carboxylate.
What is the SMILES notation for 2-oxopropyl 2-(4-phenylphenyl)quinoline-4-carboxylate?
The canonical SMILES for 2-oxopropyl 2-(4-phenylphenyl)quinoline-4-carboxylate is CC(=O)COC(=O)c1cc(-c2ccc(-c3ccccc3)cc2)nc2ccccc12.
What is the InChIKey of 2-oxopropyl 2-(4-phenylphenyl)quinoline-4-carboxylate?
The InChIKey is XKBGCXFIWTWYLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19NO3/c1-17(27)16-29-25(28)22-15-24(26-23-10-6-5-9-21(22)23)20-13-11-19(12-14-20)18-7-3-2-4-8-18/h2-15H,16H2,1H3.
What are the key properties of 2-oxopropyl 2-(4-phenylphenyl)quinoline-4-carboxylate?
2-oxopropyl 2-(4-phenylphenyl)quinoline-4-carboxylate has a molecular weight of 381.43 g/mol, XLogP of 5.31, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxopropyl 2-(4-phenylphenyl)quinoline-4-carboxylate is sourced from PubChem (CID 3948184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).