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

C17H12N2O — CID 660271

IUPAC2-(2-methylquinolin-4-yl)-1,3-benzoxazole
SMILESCc1cc(-c2nc3ccccc3o2)c2ccccc2n1
InChIInChI=1S/C17H12N2O/c1-11-10-13(12-6-2-3-7-14(12)18-11)17-19-15-8-4-5-9-16(15)20-17/h2-10H,1H3
InChIKeyVNBISBHCJDXSMV-UHFFFAOYSA-N
MW260.30 g/mol
LogP4.35
Rot. Bonds1

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

2-(2-methylquinolin-4-yl)-1,3-benzoxazole (PubChem CID 660271) has the molecular formula C17H12N2O and a molecular weight of 260.30 g/mol. Its IUPAC name is 2-(2-methylquinolin-4-yl)-1,3-benzoxazole.

Molecular Properties

Compound Name2-(2-methylquinolin-4-yl)-1,3-benzoxazole
PubChem CID660271
Molecular FormulaC17H12N2O
Molecular Weight260.30 g/mol
Exact Mass260.09
IUPAC Name2-(2-methylquinolin-4-yl)-1,3-benzoxazole
SMILESCc1cc(-c2nc3ccccc3o2)c2ccccc2n1
InChIInChI=1S/C17H12N2O/c1-11-10-13(12-6-2-3-7-14(12)18-11)17-19-15-8-4-5-9-16(15)20-17/h2-10H,1H3
InChIKeyVNBISBHCJDXSMV-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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylquinolin-4-yl)-1,3-benzoxazole?
The IUPAC name of 2-(2-methylquinolin-4-yl)-1,3-benzoxazole (CID 660271) is 2-(2-methylquinolin-4-yl)-1,3-benzoxazole.
What is the SMILES notation for 2-(2-methylquinolin-4-yl)-1,3-benzoxazole?
The canonical SMILES for 2-(2-methylquinolin-4-yl)-1,3-benzoxazole is Cc1cc(-c2nc3ccccc3o2)c2ccccc2n1.
What is the InChIKey of 2-(2-methylquinolin-4-yl)-1,3-benzoxazole?
The InChIKey is VNBISBHCJDXSMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N2O/c1-11-10-13(12-6-2-3-7-14(12)18-11)17-19-15-8-4-5-9-16(15)20-17/h2-10H,1H3.
What are the key properties of 2-(2-methylquinolin-4-yl)-1,3-benzoxazole?
2-(2-methylquinolin-4-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-(2-methylquinolin-4-yl)-1,3-benzoxazole is sourced from PubChem (CID 660271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).