1-[4-[3-(4-fluorophenyl)-[1,2]oxazolo[4,5-c]quinolin-4-yl]phenyl]ethanone

C24H15FN2O2 — CID 11783881

IUPAC1-[4-[3-(4-fluorophenyl)-[1,2]oxazolo[4,5-c]quinolin-4-yl]phenyl]ethanone
SMILESCC(=O)c1ccc(-c2nc3ccccc3c3onc(-c4ccc(F)cc4)c23)cc1
InChIInChI=1S/C24H15FN2O2/c1-14(28)15-6-8-16(9-7-15)22-21-23(17-10-12-18(25)13-11-17)27-29-24(21)19-4-2-3-5-20(19)26-22/h2-13H,1H3
InChIKeyHYLIFVWXDYAEPJ-UHFFFAOYSA-N
MW382.39 g/mol
LogP6.05
Rot. Bonds3

About 1-[4-[3-(4-fluorophenyl)-[1,2]oxazolo[4,5-c]quinolin-4-yl]phenyl]ethanone

1-[4-[3-(4-fluorophenyl)-[1,2]oxazolo[4,5-c]quinolin-4-yl]phenyl]ethanone (PubChem CID 11783881) has the molecular formula C24H15FN2O2 and a molecular weight of 382.39 g/mol. Its IUPAC name is 1-[4-[3-(4-fluorophenyl)-[1,2]oxazolo[4,5-c]quinolin-4-yl]phenyl]ethanone.

Molecular Properties

Compound Name1-[4-[3-(4-fluorophenyl)-[1,2]oxazolo[4,5-c]quinolin-4-yl]phenyl]ethanone
PubChem CID11783881
Molecular FormulaC24H15FN2O2
Molecular Weight382.39 g/mol
Exact Mass382.11
IUPAC Name1-[4-[3-(4-fluorophenyl)-[1,2]oxazolo[4,5-c]quinolin-4-yl]phenyl]ethanone
SMILESCC(=O)c1ccc(-c2nc3ccccc3c3onc(-c4ccc(F)cc4)c23)cc1
InChIInChI=1S/C24H15FN2O2/c1-14(28)15-6-8-16(9-7-15)22-21-23(17-10-12-18(25)13-11-17)27-29-24(21)19-4-2-3-5-20(19)26-22/h2-13H,1H3
InChIKeyHYLIFVWXDYAEPJ-UHFFFAOYSA-N
XLogP6.05
TPSA55.99 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.39
LogP ≤ 56.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[3-(4-fluorophenyl)-[1,2]oxazolo[4,5-c]quinolin-4-yl]phenyl]ethanone?
The IUPAC name of 1-[4-[3-(4-fluorophenyl)-[1,2]oxazolo[4,5-c]quinolin-4-yl]phenyl]ethanone (CID 11783881) is 1-[4-[3-(4-fluorophenyl)-[1,2]oxazolo[4,5-c]quinolin-4-yl]phenyl]ethanone.
What is the SMILES notation for 1-[4-[3-(4-fluorophenyl)-[1,2]oxazolo[4,5-c]quinolin-4-yl]phenyl]ethanone?
The canonical SMILES for 1-[4-[3-(4-fluorophenyl)-[1,2]oxazolo[4,5-c]quinolin-4-yl]phenyl]ethanone is CC(=O)c1ccc(-c2nc3ccccc3c3onc(-c4ccc(F)cc4)c23)cc1.
What is the InChIKey of 1-[4-[3-(4-fluorophenyl)-[1,2]oxazolo[4,5-c]quinolin-4-yl]phenyl]ethanone?
The InChIKey is HYLIFVWXDYAEPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15FN2O2/c1-14(28)15-6-8-16(9-7-15)22-21-23(17-10-12-18(25)13-11-17)27-29-24(21)19-4-2-3-5-20(19)26-22/h2-13H,1H3.
What are the key properties of 1-[4-[3-(4-fluorophenyl)-[1,2]oxazolo[4,5-c]quinolin-4-yl]phenyl]ethanone?
1-[4-[3-(4-fluorophenyl)-[1,2]oxazolo[4,5-c]quinolin-4-yl]phenyl]ethanone has a molecular weight of 382.39 g/mol, XLogP of 6.05, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[3-(4-fluorophenyl)-[1,2]oxazolo[4,5-c]quinolin-4-yl]phenyl]ethanone is sourced from PubChem (CID 11783881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).