2-(4-methylquinolin-8-yl)-1,3-benzoxazole

C17H12N2O — CID 12597845

IUPAC2-(4-methylquinolin-8-yl)-1,3-benzoxazole
SMILESCc1ccnc2c(-c3nc4ccccc4o3)cccc12
InChIInChI=1S/C17H12N2O/c1-11-9-10-18-16-12(11)5-4-6-13(16)17-19-14-7-2-3-8-15(14)20-17/h2-10H,1H3
InChIKeyQJELMKNBTOJCNV-UHFFFAOYSA-N
MW260.30 g/mol
LogP4.35
Rot. Bonds1

About 2-(4-methylquinolin-8-yl)-1,3-benzoxazole

2-(4-methylquinolin-8-yl)-1,3-benzoxazole (PubChem CID 12597845) has the molecular formula C17H12N2O and a molecular weight of 260.30 g/mol. Its IUPAC name is 2-(4-methylquinolin-8-yl)-1,3-benzoxazole.

Molecular Properties

Compound Name2-(4-methylquinolin-8-yl)-1,3-benzoxazole
PubChem CID12597845
Molecular FormulaC17H12N2O
Molecular Weight260.30 g/mol
Exact Mass260.09
IUPAC Name2-(4-methylquinolin-8-yl)-1,3-benzoxazole
SMILESCc1ccnc2c(-c3nc4ccccc4o3)cccc12
InChIInChI=1S/C17H12N2O/c1-11-9-10-18-16-12(11)5-4-6-13(16)17-19-14-7-2-3-8-15(14)20-17/h2-10H,1H3
InChIKeyQJELMKNBTOJCNV-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-(4-methylquinolin-8-yl)-1,3-benzoxazole?
The IUPAC name of 2-(4-methylquinolin-8-yl)-1,3-benzoxazole (CID 12597845) is 2-(4-methylquinolin-8-yl)-1,3-benzoxazole.
What is the SMILES notation for 2-(4-methylquinolin-8-yl)-1,3-benzoxazole?
The canonical SMILES for 2-(4-methylquinolin-8-yl)-1,3-benzoxazole is Cc1ccnc2c(-c3nc4ccccc4o3)cccc12.
What is the InChIKey of 2-(4-methylquinolin-8-yl)-1,3-benzoxazole?
The InChIKey is QJELMKNBTOJCNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N2O/c1-11-9-10-18-16-12(11)5-4-6-13(16)17-19-14-7-2-3-8-15(14)20-17/h2-10H,1H3.
What are the key properties of 2-(4-methylquinolin-8-yl)-1,3-benzoxazole?
2-(4-methylquinolin-8-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-8-yl)-1,3-benzoxazole is sourced from PubChem (CID 12597845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).