6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-hydroxy-1-(pyridin-2-ylmethyl)quinolin-2-one

C20H17N3O3 — CID 118232414

IUPAC6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-hydroxy-1-(pyridin-2-ylmethyl)quinolin-2-one
SMILESCc1noc(C)c1-c1cc2ccc(=O)n(Cc3ccccn3)c2cc1O
InChIInChI=1S/C20H17N3O3/c1-12-20(13(2)26-22-12)16-9-14-6-7-19(25)23(17(14)10-18(16)24)11-15-5-3-4-8-21-15/h3-10,24H,11H2,1-2H3
InChIKeyUZFVAOBKSOQXCJ-UHFFFAOYSA-N
MW347.37 g/mol
LogP3.42
Rot. Bonds3

About 6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-hydroxy-1-(pyridin-2-ylmethyl)quinolin-2-one

6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-hydroxy-1-(pyridin-2-ylmethyl)quinolin-2-one (PubChem CID 118232414) has the molecular formula C20H17N3O3 and a molecular weight of 347.37 g/mol. Its IUPAC name is 6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-hydroxy-1-(pyridin-2-ylmethyl)quinolin-2-one.

Molecular Properties

Compound Name6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-hydroxy-1-(pyridin-2-ylmethyl)quinolin-2-one
PubChem CID118232414
Molecular FormulaC20H17N3O3
Molecular Weight347.37 g/mol
Exact Mass347.13
IUPAC Name6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-hydroxy-1-(pyridin-2-ylmethyl)quinolin-2-one
SMILESCc1noc(C)c1-c1cc2ccc(=O)n(Cc3ccccn3)c2cc1O
InChIInChI=1S/C20H17N3O3/c1-12-20(13(2)26-22-12)16-9-14-6-7-19(25)23(17(14)10-18(16)24)11-15-5-3-4-8-21-15/h3-10,24H,11H2,1-2H3
InChIKeyUZFVAOBKSOQXCJ-UHFFFAOYSA-N
XLogP3.42
TPSA81.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.37
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-hydroxy-1-(pyridin-2-ylmethyl)quinolin-2-one?
The IUPAC name of 6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-hydroxy-1-(pyridin-2-ylmethyl)quinolin-2-one (CID 118232414) is 6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-hydroxy-1-(pyridin-2-ylmethyl)quinolin-2-one.
What is the SMILES notation for 6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-hydroxy-1-(pyridin-2-ylmethyl)quinolin-2-one?
The canonical SMILES for 6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-hydroxy-1-(pyridin-2-ylmethyl)quinolin-2-one is Cc1noc(C)c1-c1cc2ccc(=O)n(Cc3ccccn3)c2cc1O.
What is the InChIKey of 6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-hydroxy-1-(pyridin-2-ylmethyl)quinolin-2-one?
The InChIKey is UZFVAOBKSOQXCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O3/c1-12-20(13(2)26-22-12)16-9-14-6-7-19(25)23(17(14)10-18(16)24)11-15-5-3-4-8-21-15/h3-10,24H,11H2,1-2H3.
What are the key properties of 6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-hydroxy-1-(pyridin-2-ylmethyl)quinolin-2-one?
6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-hydroxy-1-(pyridin-2-ylmethyl)quinolin-2-one has a molecular weight of 347.37 g/mol, XLogP of 3.42, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-hydroxy-1-(pyridin-2-ylmethyl)quinolin-2-one is sourced from PubChem (CID 118232414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).