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

C21H19N3O3 — CID 118232448

IUPAC6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-1-(pyridin-2-ylmethyl)quinolin-2-one
SMILESCOc1cc2c(ccc(=O)n2Cc2ccccn2)cc1-c1c(C)noc1C
InChIInChI=1S/C21H19N3O3/c1-13-21(14(2)27-23-13)17-10-15-7-8-20(25)24(18(15)11-19(17)26-3)12-16-6-4-5-9-22-16/h4-11H,12H2,1-3H3
InChIKeyPTHHHBOKUUKKCL-UHFFFAOYSA-N
MW361.40 g/mol
LogP3.73
Rot. Bonds4

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

6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-1-(pyridin-2-ylmethyl)quinolin-2-one (PubChem CID 118232448) has the molecular formula C21H19N3O3 and a molecular weight of 361.40 g/mol. Its IUPAC name is 6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-1-(pyridin-2-ylmethyl)quinolin-2-one.

Molecular Properties

Compound Name6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-1-(pyridin-2-ylmethyl)quinolin-2-one
PubChem CID118232448
Molecular FormulaC21H19N3O3
Molecular Weight361.40 g/mol
Exact Mass361.14
IUPAC Name6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-1-(pyridin-2-ylmethyl)quinolin-2-one
SMILESCOc1cc2c(ccc(=O)n2Cc2ccccn2)cc1-c1c(C)noc1C
InChIInChI=1S/C21H19N3O3/c1-13-21(14(2)27-23-13)17-10-15-7-8-20(25)24(18(15)11-19(17)26-3)12-16-6-4-5-9-22-16/h4-11H,12H2,1-3H3
InChIKeyPTHHHBOKUUKKCL-UHFFFAOYSA-N
XLogP3.73
TPSA70.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.40
LogP ≤ 53.73
H-Bond Donors ≤ 50
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-methoxy-1-(pyridin-2-ylmethyl)quinolin-2-one?
The IUPAC name of 6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-1-(pyridin-2-ylmethyl)quinolin-2-one (CID 118232448) is 6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-1-(pyridin-2-ylmethyl)quinolin-2-one.
What is the SMILES notation for 6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-1-(pyridin-2-ylmethyl)quinolin-2-one?
The canonical SMILES for 6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-1-(pyridin-2-ylmethyl)quinolin-2-one is COc1cc2c(ccc(=O)n2Cc2ccccn2)cc1-c1c(C)noc1C.
What is the InChIKey of 6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-1-(pyridin-2-ylmethyl)quinolin-2-one?
The InChIKey is PTHHHBOKUUKKCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O3/c1-13-21(14(2)27-23-13)17-10-15-7-8-20(25)24(18(15)11-19(17)26-3)12-16-6-4-5-9-22-16/h4-11H,12H2,1-3H3.
What are the key properties of 6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-1-(pyridin-2-ylmethyl)quinolin-2-one?
6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-1-(pyridin-2-ylmethyl)quinolin-2-one has a molecular weight of 361.40 g/mol, XLogP of 3.73, 4 rotatable bonds, 0 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-methoxy-1-(pyridin-2-ylmethyl)quinolin-2-one is sourced from PubChem (CID 118232448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).