2-(4-methylphenyl)-[1,3]oxazolo[4,5-c]quinoline

C17H12N2O — CID 4541188

IUPAC2-(4-methylphenyl)-[1,3]oxazolo[4,5-c]quinoline
SMILESCc1ccc(-c2nc3cnc4ccccc4c3o2)cc1
InChIInChI=1S/C17H12N2O/c1-11-6-8-12(9-7-11)17-19-15-10-18-14-5-3-2-4-13(14)16(15)20-17/h2-10H,1H3
InChIKeyISPGYSWBWVEJFW-UHFFFAOYSA-N
MW260.30 g/mol
LogP4.35
Rot. Bonds1

About 2-(4-methylphenyl)-[1,3]oxazolo[4,5-c]quinoline

2-(4-methylphenyl)-[1,3]oxazolo[4,5-c]quinoline (PubChem CID 4541188) has the molecular formula C17H12N2O and a molecular weight of 260.30 g/mol. Its IUPAC name is 2-(4-methylphenyl)-[1,3]oxazolo[4,5-c]quinoline.

Molecular Properties

Compound Name2-(4-methylphenyl)-[1,3]oxazolo[4,5-c]quinoline
PubChem CID4541188
Molecular FormulaC17H12N2O
Molecular Weight260.30 g/mol
Exact Mass260.09
IUPAC Name2-(4-methylphenyl)-[1,3]oxazolo[4,5-c]quinoline
SMILESCc1ccc(-c2nc3cnc4ccccc4c3o2)cc1
InChIInChI=1S/C17H12N2O/c1-11-6-8-12(9-7-11)17-19-15-10-18-14-5-3-2-4-13(14)16(15)20-17/h2-10H,1H3
InChIKeyISPGYSWBWVEJFW-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-methylphenyl)-[1,3]oxazolo[4,5-c]quinoline?
The IUPAC name of 2-(4-methylphenyl)-[1,3]oxazolo[4,5-c]quinoline (CID 4541188) is 2-(4-methylphenyl)-[1,3]oxazolo[4,5-c]quinoline.
What is the SMILES notation for 2-(4-methylphenyl)-[1,3]oxazolo[4,5-c]quinoline?
The canonical SMILES for 2-(4-methylphenyl)-[1,3]oxazolo[4,5-c]quinoline is Cc1ccc(-c2nc3cnc4ccccc4c3o2)cc1.
What is the InChIKey of 2-(4-methylphenyl)-[1,3]oxazolo[4,5-c]quinoline?
The InChIKey is ISPGYSWBWVEJFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N2O/c1-11-6-8-12(9-7-11)17-19-15-10-18-14-5-3-2-4-13(14)16(15)20-17/h2-10H,1H3.
What are the key properties of 2-(4-methylphenyl)-[1,3]oxazolo[4,5-c]quinoline?
2-(4-methylphenyl)-[1,3]oxazolo[4,5-c]quinoline 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-methylphenyl)-[1,3]oxazolo[4,5-c]quinoline is sourced from PubChem (CID 4541188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).