8-[2-(cyclopropylmethoxy)-5-ethylsulfanylphenyl]-6-methyl-4H-pyrido[4,3-b][1,4]oxazine-3,5-dione

C20H22N2O4S — CID 123704162

IUPAC8-[2-(cyclopropylmethoxy)-5-ethylsulfanylphenyl]-6-methyl-4H-pyrido[4,3-b][1,4]oxazine-3,5-dione
SMILESCCSc1ccc(OCC2CC2)c(-c2cn(C)c(=O)c3c2OCC(=O)N3)c1
InChIInChI=1S/C20H22N2O4S/c1-3-27-13-6-7-16(25-10-12-4-5-12)14(8-13)15-9-22(2)20(24)18-19(15)26-11-17(23)21-18/h6-9,12H,3-5,10-11H2,1-2H3,(H,21,23)
InChIKeyOAIVEQSUUFXLGC-UHFFFAOYSA-N
MW386.47 g/mol
LogP3.28
Rot. Bonds6

About 8-[2-(cyclopropylmethoxy)-5-ethylsulfanylphenyl]-6-methyl-4H-pyrido[4,3-b][1,4]oxazine-3,5-dione

8-[2-(cyclopropylmethoxy)-5-ethylsulfanylphenyl]-6-methyl-4H-pyrido[4,3-b][1,4]oxazine-3,5-dione (PubChem CID 123704162) has the molecular formula C20H22N2O4S and a molecular weight of 386.47 g/mol. Its IUPAC name is 8-[2-(cyclopropylmethoxy)-5-ethylsulfanylphenyl]-6-methyl-4H-pyrido[4,3-b][1,4]oxazine-3,5-dione.

Molecular Properties

Compound Name8-[2-(cyclopropylmethoxy)-5-ethylsulfanylphenyl]-6-methyl-4H-pyrido[4,3-b][1,4]oxazine-3,5-dione
PubChem CID123704162
Molecular FormulaC20H22N2O4S
Molecular Weight386.47 g/mol
Exact Mass386.13
IUPAC Name8-[2-(cyclopropylmethoxy)-5-ethylsulfanylphenyl]-6-methyl-4H-pyrido[4,3-b][1,4]oxazine-3,5-dione
SMILESCCSc1ccc(OCC2CC2)c(-c2cn(C)c(=O)c3c2OCC(=O)N3)c1
InChIInChI=1S/C20H22N2O4S/c1-3-27-13-6-7-16(25-10-12-4-5-12)14(8-13)15-9-22(2)20(24)18-19(15)26-11-17(23)21-18/h6-9,12H,3-5,10-11H2,1-2H3,(H,21,23)
InChIKeyOAIVEQSUUFXLGC-UHFFFAOYSA-N
XLogP3.28
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.47
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 8-[2-(cyclopropylmethoxy)-5-ethylsulfanylphenyl]-6-methyl-4H-pyrido[4,3-b][1,4]oxazine-3,5-dione with MolForge

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Related Compounds

4-[2-(cyclopropylmethoxy)-5-ethylsulfanylphenyl]-2-methyl-2,7-naphthyridin-1-one
CID 163854979
5-[2-(cyclopropylmethoxy)-5-methylsulfanylphenyl]-3-(dimethylamino)-1-methylpyridin-2-one
CID 134311541
4-[2-(cyclopropylmethylamino)-5-ethylsulfanylphenyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one
CID 135227160
N-[4-(2,4-difluorophenoxy)-3-(6-methyl-3,5-dioxo-4H-pyrido[4,3-b][1,4]oxazin-8-yl)phenyl]prop-2-enamide
CID 146525026
6-chloro-4-[2-(cyclopropylmethoxy)-5-methylsulfonylphenyl]-2-methylisoquinolin-1-one
CID 118027910
5-[2-(cyclopropylmethoxy)-5-[ethyl(dihydroxy)-λ4-sulfanyl]phenyl]-1,4-dimethylpyridin-2-one
CID 123784594
5-[2-(cyclopropylmethoxy)-5-methylsulfinylphenyl]-1,4-dimethylpyridin-2-one
CID 134311111
6-[2-(cyclopropylmethoxy)-5-methylsulfanylphenyl]-2,5-dimethylpyridazin-3-one
CID 134311470
7-[2-(cyclopropylmethoxy)-5-methylsulfonylphenyl]-5-methyl-2-(trifluoromethyl)furo[3,2-c]pyridin-4-one
CID 118028094
[4-(cyclopropylmethoxy)-3-(2-methyl-1-oxoisoquinolin-4-yl)phenyl]sulfamic acid
CID 118021606
8-[2-(cyclopropylmethoxy)-5-methylsulfanylphenyl]-2,2,6-trimethyl-1,3-dihydroindolizin-5-one
CID 122633953
3-[2-(cyclopropylmethoxy)-5-methylsulfonylphenyl]-1-methyl-6H-pyrrolo[2,3-c]pyridin-7-one
CID 90416306

Frequently Asked Questions

What is the IUPAC name of 8-[2-(cyclopropylmethoxy)-5-ethylsulfanylphenyl]-6-methyl-4H-pyrido[4,3-b][1,4]oxazine-3,5-dione?
The IUPAC name of 8-[2-(cyclopropylmethoxy)-5-ethylsulfanylphenyl]-6-methyl-4H-pyrido[4,3-b][1,4]oxazine-3,5-dione (CID 123704162) is 8-[2-(cyclopropylmethoxy)-5-ethylsulfanylphenyl]-6-methyl-4H-pyrido[4,3-b][1,4]oxazine-3,5-dione.
What is the SMILES notation for 8-[2-(cyclopropylmethoxy)-5-ethylsulfanylphenyl]-6-methyl-4H-pyrido[4,3-b][1,4]oxazine-3,5-dione?
The canonical SMILES for 8-[2-(cyclopropylmethoxy)-5-ethylsulfanylphenyl]-6-methyl-4H-pyrido[4,3-b][1,4]oxazine-3,5-dione is CCSc1ccc(OCC2CC2)c(-c2cn(C)c(=O)c3c2OCC(=O)N3)c1.
What is the InChIKey of 8-[2-(cyclopropylmethoxy)-5-ethylsulfanylphenyl]-6-methyl-4H-pyrido[4,3-b][1,4]oxazine-3,5-dione?
The InChIKey is OAIVEQSUUFXLGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O4S/c1-3-27-13-6-7-16(25-10-12-4-5-12)14(8-13)15-9-22(2)20(24)18-19(15)26-11-17(23)21-18/h6-9,12H,3-5,10-11H2,1-2H3,(H,21,23).
What are the key properties of 8-[2-(cyclopropylmethoxy)-5-ethylsulfanylphenyl]-6-methyl-4H-pyrido[4,3-b][1,4]oxazine-3,5-dione?
8-[2-(cyclopropylmethoxy)-5-ethylsulfanylphenyl]-6-methyl-4H-pyrido[4,3-b][1,4]oxazine-3,5-dione has a molecular weight of 386.47 g/mol, XLogP of 3.28, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-(cyclopropylmethoxy)-5-ethylsulfanylphenyl]-6-methyl-4H-pyrido[4,3-b][1,4]oxazine-3,5-dione is sourced from PubChem (CID 123704162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).