[2-[(2,5-dimethoxyphenyl)methyl]-7-methoxy-3,4-dihydro-1H-isoquinolin-6-yl] sulfamate

C19H24N2O6S — CID 73212908

IUPAC[2-[(2,5-dimethoxyphenyl)methyl]-7-methoxy-3,4-dihydro-1H-isoquinolin-6-yl] sulfamate
SMILESCOc1ccc(OC)c(CN2CCc3cc(OS(N)(=O)=O)c(OC)cc3C2)c1
InChIInChI=1S/C19H24N2O6S/c1-24-16-4-5-17(25-2)15(8-16)12-21-7-6-13-9-19(27-28(20,22)23)18(26-3)10-14(13)11-21/h4-5,8-10H,6-7,11-12H2,1-3H3,(H2,20,22,23)
InChIKeyPZIMTWJVVPLICD-UHFFFAOYSA-N
MW408.48 g/mol
LogP1.85
Rot. Bonds7

About [2-[(2,5-dimethoxyphenyl)methyl]-7-methoxy-3,4-dihydro-1H-isoquinolin-6-yl] sulfamate

[2-[(2,5-dimethoxyphenyl)methyl]-7-methoxy-3,4-dihydro-1H-isoquinolin-6-yl] sulfamate (PubChem CID 73212908) has the molecular formula C19H24N2O6S and a molecular weight of 408.48 g/mol. Its IUPAC name is [2-[(2,5-dimethoxyphenyl)methyl]-7-methoxy-3,4-dihydro-1H-isoquinolin-6-yl] sulfamate.

Molecular Properties

Compound Name[2-[(2,5-dimethoxyphenyl)methyl]-7-methoxy-3,4-dihydro-1H-isoquinolin-6-yl] sulfamate
PubChem CID73212908
Molecular FormulaC19H24N2O6S
Molecular Weight408.48 g/mol
Exact Mass408.14
IUPAC Name[2-[(2,5-dimethoxyphenyl)methyl]-7-methoxy-3,4-dihydro-1H-isoquinolin-6-yl] sulfamate
SMILESCOc1ccc(OC)c(CN2CCc3cc(OS(N)(=O)=O)c(OC)cc3C2)c1
InChIInChI=1S/C19H24N2O6S/c1-24-16-4-5-17(25-2)15(8-16)12-21-7-6-13-9-19(27-28(20,22)23)18(26-3)10-14(13)11-21/h4-5,8-10H,6-7,11-12H2,1-3H3,(H2,20,22,23)
InChIKeyPZIMTWJVVPLICD-UHFFFAOYSA-N
XLogP1.85
TPSA100.32 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.48
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [2-[(2,5-dimethoxyphenyl)methyl]-7-methoxy-3,4-dihydro-1H-isoquinolin-6-yl] sulfamate with MolForge

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Related Compounds

6,7-dimethoxy-2-[(2-methylphenyl)methyl]-3,4-dihydro-1H-isoquinoline
CID 1377084
[2-[(3-acetamidophenyl)methyl]-7-methoxy-3,4-dihydro-1H-isoquinolin-6-yl] sulfamate
CID 73212825
6,7-dimethoxy-2-[(4-methoxy-2,3-dimethylphenyl)methyl]-3,4-dihydro-1H-isoquinoline
CID 3710877
4-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-7-methoxychromen-2-one
CID 8760387
7-methoxy-2-[(2-methoxyphenyl)methyl]-3,4-dihydro-1H-isoquinolin-6-ol
CID 25073098
2-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline
CID 1377255
2-[(2,4-dimethoxyphenyl)methyl]-3,4-dihydro-1H-isoquinoline
CID 791234
(2R)-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-[(2,5-dimethoxyphenyl)methoxy]propan-2-ol
CID 42588358
4-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]aniline
CID 10334860
6,7-dimethoxy-2-[[3-(4-phenoxyphenoxy)phenyl]methyl]-3,4-dihydro-1H-isoquinoline
CID 11213509
2-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline
CID 14660144
4-[6-[(2,5-dimethoxyphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]aniline
CID 24928812

Frequently Asked Questions

What is the IUPAC name of [2-[(2,5-dimethoxyphenyl)methyl]-7-methoxy-3,4-dihydro-1H-isoquinolin-6-yl] sulfamate?
The IUPAC name of [2-[(2,5-dimethoxyphenyl)methyl]-7-methoxy-3,4-dihydro-1H-isoquinolin-6-yl] sulfamate (CID 73212908) is [2-[(2,5-dimethoxyphenyl)methyl]-7-methoxy-3,4-dihydro-1H-isoquinolin-6-yl] sulfamate.
What is the SMILES notation for [2-[(2,5-dimethoxyphenyl)methyl]-7-methoxy-3,4-dihydro-1H-isoquinolin-6-yl] sulfamate?
The canonical SMILES for [2-[(2,5-dimethoxyphenyl)methyl]-7-methoxy-3,4-dihydro-1H-isoquinolin-6-yl] sulfamate is COc1ccc(OC)c(CN2CCc3cc(OS(N)(=O)=O)c(OC)cc3C2)c1.
What is the InChIKey of [2-[(2,5-dimethoxyphenyl)methyl]-7-methoxy-3,4-dihydro-1H-isoquinolin-6-yl] sulfamate?
The InChIKey is PZIMTWJVVPLICD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O6S/c1-24-16-4-5-17(25-2)15(8-16)12-21-7-6-13-9-19(27-28(20,22)23)18(26-3)10-14(13)11-21/h4-5,8-10H,6-7,11-12H2,1-3H3,(H2,20,22,23).
What are the key properties of [2-[(2,5-dimethoxyphenyl)methyl]-7-methoxy-3,4-dihydro-1H-isoquinolin-6-yl] sulfamate?
[2-[(2,5-dimethoxyphenyl)methyl]-7-methoxy-3,4-dihydro-1H-isoquinolin-6-yl] sulfamate has a molecular weight of 408.48 g/mol, XLogP of 1.85, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2,5-dimethoxyphenyl)methyl]-7-methoxy-3,4-dihydro-1H-isoquinolin-6-yl] sulfamate is sourced from PubChem (CID 73212908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).