8-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-1-(2-pyridin-2-ylethyl)quinolin-2-one

C22H21N3O3 — CID 135203487

IUPAC8-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-1-(2-pyridin-2-ylethyl)quinolin-2-one
SMILESCOc1ccc2ccc(=O)n(CCc3ccccn3)c2c1-c1c(C)noc1C
InChIInChI=1S/C22H21N3O3/c1-14-20(15(2)28-24-14)21-18(27-3)9-7-16-8-10-19(26)25(22(16)21)13-11-17-6-4-5-12-23-17/h4-10,12H,11,13H2,1-3H3
InChIKeyZVBJHQXKSARGOW-UHFFFAOYSA-N
MW375.43 g/mol
LogP3.92
Rot. Bonds5

About 8-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-1-(2-pyridin-2-ylethyl)quinolin-2-one

8-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-1-(2-pyridin-2-ylethyl)quinolin-2-one (PubChem CID 135203487) has the molecular formula C22H21N3O3 and a molecular weight of 375.43 g/mol. Its IUPAC name is 8-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-1-(2-pyridin-2-ylethyl)quinolin-2-one.

Molecular Properties

Compound Name8-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-1-(2-pyridin-2-ylethyl)quinolin-2-one
PubChem CID135203487
Molecular FormulaC22H21N3O3
Molecular Weight375.43 g/mol
Exact Mass375.16
IUPAC Name8-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-1-(2-pyridin-2-ylethyl)quinolin-2-one
SMILESCOc1ccc2ccc(=O)n(CCc3ccccn3)c2c1-c1c(C)noc1C
InChIInChI=1S/C22H21N3O3/c1-14-20(15(2)28-24-14)21-18(27-3)9-7-16-8-10-19(26)25(22(16)21)13-11-17-6-4-5-12-23-17/h4-10,12H,11,13H2,1-3H3
InChIKeyZVBJHQXKSARGOW-UHFFFAOYSA-N
XLogP3.92
TPSA70.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-1-(2-pyridin-2-ylethyl)quinolin-2-one?
The IUPAC name of 8-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-1-(2-pyridin-2-ylethyl)quinolin-2-one (CID 135203487) is 8-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-1-(2-pyridin-2-ylethyl)quinolin-2-one.
What is the SMILES notation for 8-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-1-(2-pyridin-2-ylethyl)quinolin-2-one?
The canonical SMILES for 8-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-1-(2-pyridin-2-ylethyl)quinolin-2-one is COc1ccc2ccc(=O)n(CCc3ccccn3)c2c1-c1c(C)noc1C.
What is the InChIKey of 8-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-1-(2-pyridin-2-ylethyl)quinolin-2-one?
The InChIKey is ZVBJHQXKSARGOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O3/c1-14-20(15(2)28-24-14)21-18(27-3)9-7-16-8-10-19(26)25(22(16)21)13-11-17-6-4-5-12-23-17/h4-10,12H,11,13H2,1-3H3.
What are the key properties of 8-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-1-(2-pyridin-2-ylethyl)quinolin-2-one?
8-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-1-(2-pyridin-2-ylethyl)quinolin-2-one has a molecular weight of 375.43 g/mol, XLogP of 3.92, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-1-(2-pyridin-2-ylethyl)quinolin-2-one is sourced from PubChem (CID 135203487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).