(4-methylphenyl) 2-(4-methoxyphenyl)quinoline-4-carboxylate

C24H19NO3 — CID 1217831

IUPAC(4-methylphenyl) 2-(4-methoxyphenyl)quinoline-4-carboxylate
SMILESCOc1ccc(-c2cc(C(=O)Oc3ccc(C)cc3)c3ccccc3n2)cc1
InChIInChI=1S/C24H19NO3/c1-16-7-11-19(12-8-16)28-24(26)21-15-23(17-9-13-18(27-2)14-10-17)25-22-6-4-3-5-20(21)22/h3-15H,1-2H3
InChIKeyYFQKUEUVZHCQSQ-UHFFFAOYSA-N
MW369.42 g/mol
LogP5.44
Rot. Bonds4

About (4-methylphenyl) 2-(4-methoxyphenyl)quinoline-4-carboxylate

(4-methylphenyl) 2-(4-methoxyphenyl)quinoline-4-carboxylate (PubChem CID 1217831) has the molecular formula C24H19NO3 and a molecular weight of 369.42 g/mol. Its IUPAC name is (4-methylphenyl) 2-(4-methoxyphenyl)quinoline-4-carboxylate.

Molecular Properties

Compound Name(4-methylphenyl) 2-(4-methoxyphenyl)quinoline-4-carboxylate
PubChem CID1217831
Molecular FormulaC24H19NO3
Molecular Weight369.42 g/mol
Exact Mass369.14
IUPAC Name(4-methylphenyl) 2-(4-methoxyphenyl)quinoline-4-carboxylate
SMILESCOc1ccc(-c2cc(C(=O)Oc3ccc(C)cc3)c3ccccc3n2)cc1
InChIInChI=1S/C24H19NO3/c1-16-7-11-19(12-8-16)28-24(26)21-15-23(17-9-13-18(27-2)14-10-17)25-22-6-4-3-5-20(21)22/h3-15H,1-2H3
InChIKeyYFQKUEUVZHCQSQ-UHFFFAOYSA-N
XLogP5.44
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.42
LogP ≤ 55.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (4-methylphenyl) 2-(4-methoxyphenyl)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

Frequently Asked Questions

What is the IUPAC name of (4-methylphenyl) 2-(4-methoxyphenyl)quinoline-4-carboxylate?
The IUPAC name of (4-methylphenyl) 2-(4-methoxyphenyl)quinoline-4-carboxylate (CID 1217831) is (4-methylphenyl) 2-(4-methoxyphenyl)quinoline-4-carboxylate.
What is the SMILES notation for (4-methylphenyl) 2-(4-methoxyphenyl)quinoline-4-carboxylate?
The canonical SMILES for (4-methylphenyl) 2-(4-methoxyphenyl)quinoline-4-carboxylate is COc1ccc(-c2cc(C(=O)Oc3ccc(C)cc3)c3ccccc3n2)cc1.
What is the InChIKey of (4-methylphenyl) 2-(4-methoxyphenyl)quinoline-4-carboxylate?
The InChIKey is YFQKUEUVZHCQSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19NO3/c1-16-7-11-19(12-8-16)28-24(26)21-15-23(17-9-13-18(27-2)14-10-17)25-22-6-4-3-5-20(21)22/h3-15H,1-2H3.
What are the key properties of (4-methylphenyl) 2-(4-methoxyphenyl)quinoline-4-carboxylate?
(4-methylphenyl) 2-(4-methoxyphenyl)quinoline-4-carboxylate has a molecular weight of 369.42 g/mol, XLogP of 5.44, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylphenyl) 2-(4-methoxyphenyl)quinoline-4-carboxylate is sourced from PubChem (CID 1217831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).