2-(4-methylquinolin-6-yl)-1,3-benzoxazole

C17H12N2O — CID 2421435

IUPAC2-(4-methylquinolin-6-yl)-1,3-benzoxazole
SMILESCc1ccnc2ccc(-c3nc4ccccc4o3)cc12
InChIInChI=1S/C17H12N2O/c1-11-8-9-18-14-7-6-12(10-13(11)14)17-19-15-4-2-3-5-16(15)20-17/h2-10H,1H3
InChIKeyWBTCERKLDKQMFI-UHFFFAOYSA-N
MW260.30 g/mol
LogP4.35
Rot. Bonds1

About 2-(4-methylquinolin-6-yl)-1,3-benzoxazole

2-(4-methylquinolin-6-yl)-1,3-benzoxazole (PubChem CID 2421435) has the molecular formula C17H12N2O and a molecular weight of 260.30 g/mol. Its IUPAC name is 2-(4-methylquinolin-6-yl)-1,3-benzoxazole.

Molecular Properties

Compound Name2-(4-methylquinolin-6-yl)-1,3-benzoxazole
PubChem CID2421435
Molecular FormulaC17H12N2O
Molecular Weight260.30 g/mol
Exact Mass260.09
IUPAC Name2-(4-methylquinolin-6-yl)-1,3-benzoxazole
SMILESCc1ccnc2ccc(-c3nc4ccccc4o3)cc12
InChIInChI=1S/C17H12N2O/c1-11-8-9-18-14-7-6-12(10-13(11)14)17-19-15-4-2-3-5-16(15)20-17/h2-10H,1H3
InChIKeyWBTCERKLDKQMFI-UHFFFAOYSA-N
XLogP4.35
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(4-methylquinolin-6-yl)-1,3-benzoxazole 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 2-(4-methylquinolin-6-yl)-1,3-benzoxazole?
The IUPAC name of 2-(4-methylquinolin-6-yl)-1,3-benzoxazole (CID 2421435) is 2-(4-methylquinolin-6-yl)-1,3-benzoxazole.
What is the SMILES notation for 2-(4-methylquinolin-6-yl)-1,3-benzoxazole?
The canonical SMILES for 2-(4-methylquinolin-6-yl)-1,3-benzoxazole is Cc1ccnc2ccc(-c3nc4ccccc4o3)cc12.
What is the InChIKey of 2-(4-methylquinolin-6-yl)-1,3-benzoxazole?
The InChIKey is WBTCERKLDKQMFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N2O/c1-11-8-9-18-14-7-6-12(10-13(11)14)17-19-15-4-2-3-5-16(15)20-17/h2-10H,1H3.
What are the key properties of 2-(4-methylquinolin-6-yl)-1,3-benzoxazole?
2-(4-methylquinolin-6-yl)-1,3-benzoxazole has a molecular weight of 260.30 g/mol, XLogP of 4.35, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylquinolin-6-yl)-1,3-benzoxazole is sourced from PubChem (CID 2421435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).