3-methyl-4-phenyl-[1,2]oxazolo[4,3-c]quinoline

C17H12N2O — CID 15933936

IUPAC3-methyl-4-phenyl-[1,2]oxazolo[4,3-c]quinoline
SMILESCc1onc2c1c(-c1ccccc1)nc1ccccc12
InChIInChI=1S/C17H12N2O/c1-11-15-16(12-7-3-2-4-8-12)18-14-10-6-5-9-13(14)17(15)19-20-11/h2-10H,1H3
InChIKeyBWEXTNGFHQZWGW-UHFFFAOYSA-N
MW260.30 g/mol
LogP4.35
Rot. Bonds1

About 3-methyl-4-phenyl-[1,2]oxazolo[4,3-c]quinoline

3-methyl-4-phenyl-[1,2]oxazolo[4,3-c]quinoline (PubChem CID 15933936) has the molecular formula C17H12N2O and a molecular weight of 260.30 g/mol. Its IUPAC name is 3-methyl-4-phenyl-[1,2]oxazolo[4,3-c]quinoline.

Molecular Properties

Compound Name3-methyl-4-phenyl-[1,2]oxazolo[4,3-c]quinoline
PubChem CID15933936
Molecular FormulaC17H12N2O
Molecular Weight260.30 g/mol
Exact Mass260.09
IUPAC Name3-methyl-4-phenyl-[1,2]oxazolo[4,3-c]quinoline
SMILESCc1onc2c1c(-c1ccccc1)nc1ccccc12
InChIInChI=1S/C17H12N2O/c1-11-15-16(12-7-3-2-4-8-12)18-14-10-6-5-9-13(14)17(15)19-20-11/h2-10H,1H3
InChIKeyBWEXTNGFHQZWGW-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 3-methyl-4-phenyl-[1,2]oxazolo[4,3-c]quinoline?
The IUPAC name of 3-methyl-4-phenyl-[1,2]oxazolo[4,3-c]quinoline (CID 15933936) is 3-methyl-4-phenyl-[1,2]oxazolo[4,3-c]quinoline.
What is the SMILES notation for 3-methyl-4-phenyl-[1,2]oxazolo[4,3-c]quinoline?
The canonical SMILES for 3-methyl-4-phenyl-[1,2]oxazolo[4,3-c]quinoline is Cc1onc2c1c(-c1ccccc1)nc1ccccc12.
What is the InChIKey of 3-methyl-4-phenyl-[1,2]oxazolo[4,3-c]quinoline?
The InChIKey is BWEXTNGFHQZWGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N2O/c1-11-15-16(12-7-3-2-4-8-12)18-14-10-6-5-9-13(14)17(15)19-20-11/h2-10H,1H3.
What are the key properties of 3-methyl-4-phenyl-[1,2]oxazolo[4,3-c]quinoline?
3-methyl-4-phenyl-[1,2]oxazolo[4,3-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 3-methyl-4-phenyl-[1,2]oxazolo[4,3-c]quinoline is sourced from PubChem (CID 15933936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).