(4-methylphenyl)methyl quinoline-2-carboxylate

C18H15NO2 — CID 2630702

IUPAC(4-methylphenyl)methyl quinoline-2-carboxylate
SMILESCc1ccc(COC(=O)c2ccc3ccccc3n2)cc1
InChIInChI=1S/C18H15NO2/c1-13-6-8-14(9-7-13)12-21-18(20)17-11-10-15-4-2-3-5-16(15)19-17/h2-11H,12H2,1H3
InChIKeyQHADRABYZYTIBH-UHFFFAOYSA-N
MW277.32 g/mol
LogP3.90
Rot. Bonds3

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

(4-methylphenyl)methyl quinoline-2-carboxylate (PubChem CID 2630702) has the molecular formula C18H15NO2 and a molecular weight of 277.32 g/mol. Its IUPAC name is (4-methylphenyl)methyl quinoline-2-carboxylate.

Molecular Properties

Compound Name(4-methylphenyl)methyl quinoline-2-carboxylate
PubChem CID2630702
Molecular FormulaC18H15NO2
Molecular Weight277.32 g/mol
Exact Mass277.11
IUPAC Name(4-methylphenyl)methyl quinoline-2-carboxylate
SMILESCc1ccc(COC(=O)c2ccc3ccccc3n2)cc1
InChIInChI=1S/C18H15NO2/c1-13-6-8-14(9-7-13)12-21-18(20)17-11-10-15-4-2-3-5-16(15)19-17/h2-11H,12H2,1H3
InChIKeyQHADRABYZYTIBH-UHFFFAOYSA-N
XLogP3.90
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (4-methylphenyl)methyl quinoline-2-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)methyl quinoline-2-carboxylate?
The IUPAC name of (4-methylphenyl)methyl quinoline-2-carboxylate (CID 2630702) is (4-methylphenyl)methyl quinoline-2-carboxylate.
What is the SMILES notation for (4-methylphenyl)methyl quinoline-2-carboxylate?
The canonical SMILES for (4-methylphenyl)methyl quinoline-2-carboxylate is Cc1ccc(COC(=O)c2ccc3ccccc3n2)cc1.
What is the InChIKey of (4-methylphenyl)methyl quinoline-2-carboxylate?
The InChIKey is QHADRABYZYTIBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO2/c1-13-6-8-14(9-7-13)12-21-18(20)17-11-10-15-4-2-3-5-16(15)19-17/h2-11H,12H2,1H3.
What are the key properties of (4-methylphenyl)methyl quinoline-2-carboxylate?
(4-methylphenyl)methyl quinoline-2-carboxylate has a molecular weight of 277.32 g/mol, XLogP of 3.90, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylphenyl)methyl quinoline-2-carboxylate is sourced from PubChem (CID 2630702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).