9-methoxy-3,4-dihydro-2H-[1,3]thiazino[3,2-b]isoquinolin-6-one

C13H13NO2S — CID 12593084

IUPAC9-methoxy-3,4-dihydro-2H-[1,3]thiazino[3,2-b]isoquinolin-6-one
SMILESCOc1ccc2c(=O)n3c(cc2c1)SCCC3
InChIInChI=1S/C13H13NO2S/c1-16-10-3-4-11-9(7-10)8-12-14(13(11)15)5-2-6-17-12/h3-4,7-8H,2,5-6H2,1H3
InChIKeyALQVMCYJMWWWLR-UHFFFAOYSA-N
MW247.32 g/mol
LogP2.51
Rot. Bonds1

About 9-methoxy-3,4-dihydro-2H-[1,3]thiazino[3,2-b]isoquinolin-6-one

9-methoxy-3,4-dihydro-2H-[1,3]thiazino[3,2-b]isoquinolin-6-one (PubChem CID 12593084) has the molecular formula C13H13NO2S and a molecular weight of 247.32 g/mol. Its IUPAC name is 9-methoxy-3,4-dihydro-2H-[1,3]thiazino[3,2-b]isoquinolin-6-one.

Molecular Properties

Compound Name9-methoxy-3,4-dihydro-2H-[1,3]thiazino[3,2-b]isoquinolin-6-one
PubChem CID12593084
Molecular FormulaC13H13NO2S
Molecular Weight247.32 g/mol
Exact Mass247.07
IUPAC Name9-methoxy-3,4-dihydro-2H-[1,3]thiazino[3,2-b]isoquinolin-6-one
SMILESCOc1ccc2c(=O)n3c(cc2c1)SCCC3
InChIInChI=1S/C13H13NO2S/c1-16-10-3-4-11-9(7-10)8-12-14(13(11)15)5-2-6-17-12/h3-4,7-8H,2,5-6H2,1H3
InChIKeyALQVMCYJMWWWLR-UHFFFAOYSA-N
XLogP2.51
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.32
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

8-amino-3,4-dihydro-2H-[1,3]thiazino[3,2-b]isoquinolin-6-one
CID 12593079
2-cyclopropyl-6-methoxy-1-oxoisoquinoline-3-carboxylic acid
CID 172901532
6-methoxy-1-oxoisothiochromene-3-carboxylic acid
CID 21440743
6-methoxy-2-[(4-methoxyphenyl)methyl]isoquinolin-1-one
CID 127034647
8-hydroxy-7-[(4-methoxyphenyl)methyl]-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one
CID 135403102
2-cyclopropyl-6-methoxy-N,N-dimethyl-1-oxoisoquinoline-3-carboxamide
CID 172903097
17-[(2-chlorophenyl)methyl]-13-methoxy-7-thia-3,9,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),8,11(16),12,14-pentaen-2-one
CID 7709364
7,20-dimethoxyhexacyclo[12.12.0.02,11.05,10.015,24.018,23]hexacosa-1(14),2(11),3,5(10),6,8,12,15(24),16,18(23),19,21,25-tridecaene
CID 58411039
sodium 6-methoxy-1-oxoisothiochromene-3-carboxylate
CID 23666644
N-cyclopropyl-2,6-dimethoxy-1-oxoisoquinoline-3-carboxamide
CID 172905235
N-(6,7-dihydro-5H-[1,2,4]triazolo[3,4-b][1,3]thiazin-3-yl)-3-methoxybenzamide
CID 27444840
N-cyclobutyl-2-cyclopropyl-6-methoxy-1-oxoisoquinoline-3-carboxamide
CID 172902870

Frequently Asked Questions

What is the IUPAC name of 9-methoxy-3,4-dihydro-2H-[1,3]thiazino[3,2-b]isoquinolin-6-one?
The IUPAC name of 9-methoxy-3,4-dihydro-2H-[1,3]thiazino[3,2-b]isoquinolin-6-one (CID 12593084) is 9-methoxy-3,4-dihydro-2H-[1,3]thiazino[3,2-b]isoquinolin-6-one.
What is the SMILES notation for 9-methoxy-3,4-dihydro-2H-[1,3]thiazino[3,2-b]isoquinolin-6-one?
The canonical SMILES for 9-methoxy-3,4-dihydro-2H-[1,3]thiazino[3,2-b]isoquinolin-6-one is COc1ccc2c(=O)n3c(cc2c1)SCCC3.
What is the InChIKey of 9-methoxy-3,4-dihydro-2H-[1,3]thiazino[3,2-b]isoquinolin-6-one?
The InChIKey is ALQVMCYJMWWWLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO2S/c1-16-10-3-4-11-9(7-10)8-12-14(13(11)15)5-2-6-17-12/h3-4,7-8H,2,5-6H2,1H3.
What are the key properties of 9-methoxy-3,4-dihydro-2H-[1,3]thiazino[3,2-b]isoquinolin-6-one?
9-methoxy-3,4-dihydro-2H-[1,3]thiazino[3,2-b]isoquinolin-6-one has a molecular weight of 247.32 g/mol, XLogP of 2.51, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methoxy-3,4-dihydro-2H-[1,3]thiazino[3,2-b]isoquinolin-6-one is sourced from PubChem (CID 12593084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).