6-fluoro-3-(3-methyl-1,2-oxazol-5-yl)-4-phenyl-1H-quinolin-2-one

C19H13FN2O2 — CID 135531166

IUPAC6-fluoro-3-(3-methyl-1,2-oxazol-5-yl)-4-phenyl-1H-quinolin-2-one
SMILESCc1cc(-c2c(-c3ccccc3)c3cc(F)ccc3[nH]c2=O)on1
InChIInChI=1S/C19H13FN2O2/c1-11-9-16(24-22-11)18-17(12-5-3-2-4-6-12)14-10-13(20)7-8-15(14)21-19(18)23/h2-10H,1H3,(H,21,23)
InChIKeyOJEVDSFTWHPJOQ-UHFFFAOYSA-N
MW320.32 g/mol
LogP4.30
Rot. Bonds2

About 6-fluoro-3-(3-methyl-1,2-oxazol-5-yl)-4-phenyl-1H-quinolin-2-one

6-fluoro-3-(3-methyl-1,2-oxazol-5-yl)-4-phenyl-1H-quinolin-2-one (PubChem CID 135531166) has the molecular formula C19H13FN2O2 and a molecular weight of 320.32 g/mol. Its IUPAC name is 6-fluoro-3-(3-methyl-1,2-oxazol-5-yl)-4-phenyl-1H-quinolin-2-one.

Molecular Properties

Compound Name6-fluoro-3-(3-methyl-1,2-oxazol-5-yl)-4-phenyl-1H-quinolin-2-one
PubChem CID135531166
Molecular FormulaC19H13FN2O2
Molecular Weight320.32 g/mol
Exact Mass320.10
IUPAC Name6-fluoro-3-(3-methyl-1,2-oxazol-5-yl)-4-phenyl-1H-quinolin-2-one
SMILESCc1cc(-c2c(-c3ccccc3)c3cc(F)ccc3[nH]c2=O)on1
InChIInChI=1S/C19H13FN2O2/c1-11-9-16(24-22-11)18-17(12-5-3-2-4-6-12)14-10-13(20)7-8-15(14)21-19(18)23/h2-10H,1H3,(H,21,23)
InChIKeyOJEVDSFTWHPJOQ-UHFFFAOYSA-N
XLogP4.30
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.32
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-3-(3-methyl-1,2-oxazol-5-yl)-4-phenyl-1H-quinolin-2-one?
The IUPAC name of 6-fluoro-3-(3-methyl-1,2-oxazol-5-yl)-4-phenyl-1H-quinolin-2-one (CID 135531166) is 6-fluoro-3-(3-methyl-1,2-oxazol-5-yl)-4-phenyl-1H-quinolin-2-one.
What is the SMILES notation for 6-fluoro-3-(3-methyl-1,2-oxazol-5-yl)-4-phenyl-1H-quinolin-2-one?
The canonical SMILES for 6-fluoro-3-(3-methyl-1,2-oxazol-5-yl)-4-phenyl-1H-quinolin-2-one is Cc1cc(-c2c(-c3ccccc3)c3cc(F)ccc3[nH]c2=O)on1.
What is the InChIKey of 6-fluoro-3-(3-methyl-1,2-oxazol-5-yl)-4-phenyl-1H-quinolin-2-one?
The InChIKey is OJEVDSFTWHPJOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13FN2O2/c1-11-9-16(24-22-11)18-17(12-5-3-2-4-6-12)14-10-13(20)7-8-15(14)21-19(18)23/h2-10H,1H3,(H,21,23).
What are the key properties of 6-fluoro-3-(3-methyl-1,2-oxazol-5-yl)-4-phenyl-1H-quinolin-2-one?
6-fluoro-3-(3-methyl-1,2-oxazol-5-yl)-4-phenyl-1H-quinolin-2-one has a molecular weight of 320.32 g/mol, XLogP of 4.30, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-3-(3-methyl-1,2-oxazol-5-yl)-4-phenyl-1H-quinolin-2-one is sourced from PubChem (CID 135531166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).