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

C24H19NO3 — CID 2338477

IUPAC(3-methylphenyl) 2-(4-methoxyphenyl)quinoline-4-carboxylate
SMILESCOc1ccc(-c2cc(C(=O)Oc3cccc(C)c3)c3ccccc3n2)cc1
InChIInChI=1S/C24H19NO3/c1-16-6-5-7-19(14-16)28-24(26)21-15-23(17-10-12-18(27-2)13-11-17)25-22-9-4-3-8-20(21)22/h3-15H,1-2H3
InChIKeyUTNRBYBZQTWWOX-UHFFFAOYSA-N
MW369.42 g/mol
LogP5.44
Rot. Bonds4

About (3-methylphenyl) 2-(4-methoxyphenyl)quinoline-4-carboxylate

(3-methylphenyl) 2-(4-methoxyphenyl)quinoline-4-carboxylate (PubChem CID 2338477) has the molecular formula C24H19NO3 and a molecular weight of 369.42 g/mol. Its IUPAC name is (3-methylphenyl) 2-(4-methoxyphenyl)quinoline-4-carboxylate.

Molecular Properties

Compound Name(3-methylphenyl) 2-(4-methoxyphenyl)quinoline-4-carboxylate
PubChem CID2338477
Molecular FormulaC24H19NO3
Molecular Weight369.42 g/mol
Exact Mass369.14
IUPAC Name(3-methylphenyl) 2-(4-methoxyphenyl)quinoline-4-carboxylate
SMILESCOc1ccc(-c2cc(C(=O)Oc3cccc(C)c3)c3ccccc3n2)cc1
InChIInChI=1S/C24H19NO3/c1-16-6-5-7-19(14-16)28-24(26)21-15-23(17-10-12-18(27-2)13-11-17)25-22-9-4-3-8-20(21)22/h3-15H,1-2H3
InChIKeyUTNRBYBZQTWWOX-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'}

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Frequently Asked Questions

What is the IUPAC name of (3-methylphenyl) 2-(4-methoxyphenyl)quinoline-4-carboxylate?
The IUPAC name of (3-methylphenyl) 2-(4-methoxyphenyl)quinoline-4-carboxylate (CID 2338477) is (3-methylphenyl) 2-(4-methoxyphenyl)quinoline-4-carboxylate.
What is the SMILES notation for (3-methylphenyl) 2-(4-methoxyphenyl)quinoline-4-carboxylate?
The canonical SMILES for (3-methylphenyl) 2-(4-methoxyphenyl)quinoline-4-carboxylate is COc1ccc(-c2cc(C(=O)Oc3cccc(C)c3)c3ccccc3n2)cc1.
What is the InChIKey of (3-methylphenyl) 2-(4-methoxyphenyl)quinoline-4-carboxylate?
The InChIKey is UTNRBYBZQTWWOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19NO3/c1-16-6-5-7-19(14-16)28-24(26)21-15-23(17-10-12-18(27-2)13-11-17)25-22-9-4-3-8-20(21)22/h3-15H,1-2H3.
What are the key properties of (3-methylphenyl) 2-(4-methoxyphenyl)quinoline-4-carboxylate?
(3-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 (3-methylphenyl) 2-(4-methoxyphenyl)quinoline-4-carboxylate is sourced from PubChem (CID 2338477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).