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

C21H21N3O3 — CID 118224630

IUPAC6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-1-(pyridin-2-ylmethyl)-3,4-dihydroquinolin-2-one
SMILESCOc1cc2c(cc1-c1c(C)noc1C)CCC(=O)N2Cc1ccccn1
InChIInChI=1S/C21H21N3O3/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/h4-6,9-11H,7-8,12H2,1-3H3
InChIKeyOIPIFASVOSSJHK-UHFFFAOYSA-N
MW363.42 g/mol
LogP3.84
Rot. Bonds4

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

6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-1-(pyridin-2-ylmethyl)-3,4-dihydroquinolin-2-one (PubChem CID 118224630) has the molecular formula C21H21N3O3 and a molecular weight of 363.42 g/mol. Its IUPAC name is 6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-1-(pyridin-2-ylmethyl)-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-1-(pyridin-2-ylmethyl)-3,4-dihydroquinolin-2-one
PubChem CID118224630
Molecular FormulaC21H21N3O3
Molecular Weight363.42 g/mol
Exact Mass363.16
IUPAC Name6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-1-(pyridin-2-ylmethyl)-3,4-dihydroquinolin-2-one
SMILESCOc1cc2c(cc1-c1c(C)noc1C)CCC(=O)N2Cc1ccccn1
InChIInChI=1S/C21H21N3O3/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/h4-6,9-11H,7-8,12H2,1-3H3
InChIKeyOIPIFASVOSSJHK-UHFFFAOYSA-N
XLogP3.84
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-1-(pyridin-2-ylmethyl)-3,4-dihydroquinolin-2-one with MolForge

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Launch Full Analysis

Related Compounds

6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-1-(pyridin-2-ylmethyl)quinolin-2-one
CID 118232448
6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-3,4-dihydro-1H-naphthalen-2-one
CID 158702341
4-[8-methoxy-1-(pyridin-2-ylmethyl)triazolo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole
CID 52932859
8-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-1-(pyridin-2-ylmethyl)quinolin-2-one
CID 135203476
6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[2-(4-fluorophenyl)acetyl]-7-methoxy-1-(pyridin-2-ylmethyl)quinolin-2-one
CID 162170313
6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[2-[5-(hydroxymethyl)-1,3,4-thiadiazol-2-yl]acetyl]-7-methoxy-1-(pyridin-2-ylmethyl)quinolin-2-one
CID 159154884
6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-hydroxy-1-(pyridin-2-ylmethyl)quinolin-2-one
CID 118232414
2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-2-oxo-1-(pyridin-2-ylmethyl)quinolin-3-yl]acetonitrile;2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-2-oxo-1-(pyridin-2-ylmethyl)quinolin-3-yl]-N-hydrazinylideneethanimidamide
CID 159166031
8-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-1-(2-pyridin-2-ylethyl)quinolin-2-one
CID 135203487
5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(pyridin-2-ylmethoxy)-1H-pyridin-2-one
CID 121379032
8-(3,5-dimethyl-1,2-oxazol-4-yl)-7-prop-2-enoxy-1-(pyridin-2-ylmethyl)quinolin-2-one
CID 135203447
1-(pyridin-2-ylmethyl)-3H-indol-2-one
CID 90893291

Frequently Asked Questions

What is the IUPAC name of 6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-1-(pyridin-2-ylmethyl)-3,4-dihydroquinolin-2-one?
The IUPAC name of 6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-1-(pyridin-2-ylmethyl)-3,4-dihydroquinolin-2-one (CID 118224630) is 6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-1-(pyridin-2-ylmethyl)-3,4-dihydroquinolin-2-one.
What is the SMILES notation for 6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-1-(pyridin-2-ylmethyl)-3,4-dihydroquinolin-2-one?
The canonical SMILES for 6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-1-(pyridin-2-ylmethyl)-3,4-dihydroquinolin-2-one is COc1cc2c(cc1-c1c(C)noc1C)CCC(=O)N2Cc1ccccn1.
What is the InChIKey of 6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-1-(pyridin-2-ylmethyl)-3,4-dihydroquinolin-2-one?
The InChIKey is OIPIFASVOSSJHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O3/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/h4-6,9-11H,7-8,12H2,1-3H3.
What are the key properties of 6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-1-(pyridin-2-ylmethyl)-3,4-dihydroquinolin-2-one?
6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-1-(pyridin-2-ylmethyl)-3,4-dihydroquinolin-2-one has a molecular weight of 363.42 g/mol, XLogP of 3.84, 4 rotatable bonds, 0 hydrogen bond donors, and 5 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)-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 118224630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).