(4-methylphenyl) 2-phenylquinoline-4-carboxylate

C23H17NO2 — CID 885371

IUPAC(4-methylphenyl) 2-phenylquinoline-4-carboxylate
SMILESCc1ccc(OC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc1
InChIInChI=1S/C23H17NO2/c1-16-11-13-18(14-12-16)26-23(25)20-15-22(17-7-3-2-4-8-17)24-21-10-6-5-9-19(20)21/h2-15H,1H3
InChIKeyBKFNBVYZWZNDMX-UHFFFAOYSA-N
MW339.39 g/mol
LogP5.43
Rot. Bonds3

About (4-methylphenyl) 2-phenylquinoline-4-carboxylate

(4-methylphenyl) 2-phenylquinoline-4-carboxylate (PubChem CID 885371) has the molecular formula C23H17NO2 and a molecular weight of 339.39 g/mol. Its IUPAC name is (4-methylphenyl) 2-phenylquinoline-4-carboxylate.

Molecular Properties

Compound Name(4-methylphenyl) 2-phenylquinoline-4-carboxylate
PubChem CID885371
Molecular FormulaC23H17NO2
Molecular Weight339.39 g/mol
Exact Mass339.13
IUPAC Name(4-methylphenyl) 2-phenylquinoline-4-carboxylate
SMILESCc1ccc(OC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc1
InChIInChI=1S/C23H17NO2/c1-16-11-13-18(14-12-16)26-23(25)20-15-22(17-7-3-2-4-8-17)24-21-10-6-5-9-19(20)21/h2-15H,1H3
InChIKeyBKFNBVYZWZNDMX-UHFFFAOYSA-N
XLogP5.43
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.39
LogP ≤ 55.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (4-methylphenyl) 2-phenylquinoline-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

Veliflapon
CID 123723
Neocinchophen
CID 68089
Jtc-801
CID 5311339
2-(4-Ethoxyphenyl)quinoline-4-carboxylic acid
CID 673734
6-Fluoro-2-[2-Methyl-4-Phenoxy-5-(Propan-2-Yl)phenyl]quinoline-4-Carboxylic Acid
CID 71816353
6-Methoxy-2-methylquinoline-4-carboxylic acid
CID 652347
2-Methoxy-4-quinolinecarboxylic acid
CID 1130354
(inverted exclamation markA)-BI-D
CID 71592850
R214127
CID 10470232
(2s)-Tert-Butoxy[4-(3,4-Dihydro-2h-Chromen-6-Yl)-2-Methylquinolin-3-Yl]ethanoic Acid
CID 44199168
3-Methyl quinoline, 8b
CID 44472985
N-(4-ethoxyphenyl)-2-methoxyquinoline-4-carboxamide
CID 705265

Frequently Asked Questions

What is the IUPAC name of (4-methylphenyl) 2-phenylquinoline-4-carboxylate?
The IUPAC name of (4-methylphenyl) 2-phenylquinoline-4-carboxylate (CID 885371) is (4-methylphenyl) 2-phenylquinoline-4-carboxylate.
What is the SMILES notation for (4-methylphenyl) 2-phenylquinoline-4-carboxylate?
The canonical SMILES for (4-methylphenyl) 2-phenylquinoline-4-carboxylate is Cc1ccc(OC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc1.
What is the InChIKey of (4-methylphenyl) 2-phenylquinoline-4-carboxylate?
The InChIKey is BKFNBVYZWZNDMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17NO2/c1-16-11-13-18(14-12-16)26-23(25)20-15-22(17-7-3-2-4-8-17)24-21-10-6-5-9-19(20)21/h2-15H,1H3.
What are the key properties of (4-methylphenyl) 2-phenylquinoline-4-carboxylate?
(4-methylphenyl) 2-phenylquinoline-4-carboxylate has a molecular weight of 339.39 g/mol, XLogP of 5.43, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylphenyl) 2-phenylquinoline-4-carboxylate is sourced from PubChem (CID 885371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).