2-(4-fluorophenyl)-5-methyl-[1,3]oxazolo[4,5-c]quinolin-4-one

C17H11FN2O2 — CID 3514283

IUPAC2-(4-fluorophenyl)-5-methyl-[1,3]oxazolo[4,5-c]quinolin-4-one
SMILESCn1c(=O)c2nc(-c3ccc(F)cc3)oc2c2ccccc21
InChIInChI=1S/C17H11FN2O2/c1-20-13-5-3-2-4-12(13)15-14(17(20)21)19-16(22-15)10-6-8-11(18)9-7-10/h2-9H,1H3
InChIKeyHUASYGVBLJRXPM-UHFFFAOYSA-N
MW294.29 g/mol
LogP3.49
Rot. Bonds1

About 2-(4-fluorophenyl)-5-methyl-[1,3]oxazolo[4,5-c]quinolin-4-one

2-(4-fluorophenyl)-5-methyl-[1,3]oxazolo[4,5-c]quinolin-4-one (PubChem CID 3514283) has the molecular formula C17H11FN2O2 and a molecular weight of 294.29 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-5-methyl-[1,3]oxazolo[4,5-c]quinolin-4-one.

Molecular Properties

Compound Name2-(4-fluorophenyl)-5-methyl-[1,3]oxazolo[4,5-c]quinolin-4-one
PubChem CID3514283
Molecular FormulaC17H11FN2O2
Molecular Weight294.29 g/mol
Exact Mass294.08
IUPAC Name2-(4-fluorophenyl)-5-methyl-[1,3]oxazolo[4,5-c]quinolin-4-one
SMILESCn1c(=O)c2nc(-c3ccc(F)cc3)oc2c2ccccc21
InChIInChI=1S/C17H11FN2O2/c1-20-13-5-3-2-4-12(13)15-14(17(20)21)19-16(22-15)10-6-8-11(18)9-7-10/h2-9H,1H3
InChIKeyHUASYGVBLJRXPM-UHFFFAOYSA-N
XLogP3.49
TPSA48.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.29
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-5-methyl-[1,3]oxazolo[4,5-c]quinolin-4-one?
The IUPAC name of 2-(4-fluorophenyl)-5-methyl-[1,3]oxazolo[4,5-c]quinolin-4-one (CID 3514283) is 2-(4-fluorophenyl)-5-methyl-[1,3]oxazolo[4,5-c]quinolin-4-one.
What is the SMILES notation for 2-(4-fluorophenyl)-5-methyl-[1,3]oxazolo[4,5-c]quinolin-4-one?
The canonical SMILES for 2-(4-fluorophenyl)-5-methyl-[1,3]oxazolo[4,5-c]quinolin-4-one is Cn1c(=O)c2nc(-c3ccc(F)cc3)oc2c2ccccc21.
What is the InChIKey of 2-(4-fluorophenyl)-5-methyl-[1,3]oxazolo[4,5-c]quinolin-4-one?
The InChIKey is HUASYGVBLJRXPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11FN2O2/c1-20-13-5-3-2-4-12(13)15-14(17(20)21)19-16(22-15)10-6-8-11(18)9-7-10/h2-9H,1H3.
What are the key properties of 2-(4-fluorophenyl)-5-methyl-[1,3]oxazolo[4,5-c]quinolin-4-one?
2-(4-fluorophenyl)-5-methyl-[1,3]oxazolo[4,5-c]quinolin-4-one has a molecular weight of 294.29 g/mol, XLogP of 3.49, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-5-methyl-[1,3]oxazolo[4,5-c]quinolin-4-one is sourced from PubChem (CID 3514283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).