N-(4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-9-yl)methanesulfonamide

C13H18N2O5S — CID 39378222

IUPACN-(4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-9-yl)methanesulfonamide
SMILESCOc1c2c(c(NS(C)(=O)=O)c3c1OCO3)CCN(C)C2
InChIInChI=1S/C13H18N2O5S/c1-15-5-4-8-9(6-15)11(18-2)13-12(19-7-20-13)10(8)14-21(3,16)17/h14H,4-7H2,1-3H3
InChIKeyWZHOVUBMCFBSHU-UHFFFAOYSA-N
MW314.36 g/mol
LogP0.78
Rot. Bonds3

About N-(4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-9-yl)methanesulfonamide

N-(4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-9-yl)methanesulfonamide (PubChem CID 39378222) has the molecular formula C13H18N2O5S and a molecular weight of 314.36 g/mol. Its IUPAC name is N-(4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-9-yl)methanesulfonamide.

Molecular Properties

Compound NameN-(4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-9-yl)methanesulfonamide
PubChem CID39378222
Molecular FormulaC13H18N2O5S
Molecular Weight314.36 g/mol
Exact Mass314.09
IUPAC NameN-(4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-9-yl)methanesulfonamide
SMILESCOc1c2c(c(NS(C)(=O)=O)c3c1OCO3)CCN(C)C2
InChIInChI=1S/C13H18N2O5S/c1-15-5-4-8-9(6-15)11(18-2)13-12(19-7-20-13)10(8)14-21(3,16)17/h14H,4-7H2,1-3H3
InChIKeyWZHOVUBMCFBSHU-UHFFFAOYSA-N
XLogP0.78
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.36
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-9-yl)methanesulfonamide with MolForge

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Related Compounds

4-methoxy-6-methyl-9-(trifluoromethyl)-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinoline
CID 119054043
4-methoxy-6-methyl-9-[(2R)-2-methyloxiran-2-yl]-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinoline
CID 124855505
N-(4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-9-yl)-2-(2-phenylethyl)benzamide
CID 39377835
4-methoxy-6-methyl-N-[[(2S)-oxolan-2-yl]methyl]-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinoline-9-sulfonamide
CID 51974855
cyclobutyl-[4-[(4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-9-yl)sulfonyl]piperazin-1-yl]methanone
CID 125428620
N-(4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-9-yl)-2-(4-methyl-1-oxophthalazin-2-yl)acetamide
CID 39377793
4-amino-N-[(4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-9-yl)methyl]benzamide
CID 146015140
5-(3-fluoro-4-methoxyphenyl)-N-(4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-9-yl)-1,2-oxazole-3-carboxamide
CID 39378237
N-[(3R)-3-(4-chlorophenyl)-4-methylpentyl]-4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinoline-9-sulfonamide
CID 51974631
bis(4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinoline);hydrate
CID 71586830
4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinoline bromide
CID 51371394
(E)-N-(4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-9-yl)-3-(2-oxo-1-azatricyclo[7.3.1.05,13]trideca-3,5(13),6,8-tetraen-3-yl)prop-2-enamide
CID 39377693

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-9-yl)methanesulfonamide?
The IUPAC name of N-(4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-9-yl)methanesulfonamide (CID 39378222) is N-(4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-9-yl)methanesulfonamide.
What is the SMILES notation for N-(4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-9-yl)methanesulfonamide?
The canonical SMILES for N-(4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-9-yl)methanesulfonamide is COc1c2c(c(NS(C)(=O)=O)c3c1OCO3)CCN(C)C2.
What is the InChIKey of N-(4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-9-yl)methanesulfonamide?
The InChIKey is WZHOVUBMCFBSHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O5S/c1-15-5-4-8-9(6-15)11(18-2)13-12(19-7-20-13)10(8)14-21(3,16)17/h14H,4-7H2,1-3H3.
What are the key properties of N-(4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-9-yl)methanesulfonamide?
N-(4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-9-yl)methanesulfonamide has a molecular weight of 314.36 g/mol, XLogP of 0.78, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-9-yl)methanesulfonamide is sourced from PubChem (CID 39378222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).