7-deuterio-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinoline

C11H15NO — CID 175826905

IUPAC7-deuterio-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinoline
SMILES[2H]c1cc2c(cc1OC)CCN(C)C2
InChIInChI=1S/C11H15NO/c1-12-6-5-9-7-11(13-2)4-3-10(9)8-12/h3-4,7H,5-6,8H2,1-2H3/i4D
InChIKeyFXCIEQJPMSJEII-QYKNYGDISA-N
MW178.25 g/mol
LogP1.68
Rot. Bonds1

About 7-deuterio-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinoline

7-deuterio-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinoline (PubChem CID 175826905) has the molecular formula C11H15NO and a molecular weight of 178.25 g/mol. Its IUPAC name is 7-deuterio-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinoline.

Molecular Properties

Compound Name7-deuterio-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinoline
PubChem CID175826905
Molecular FormulaC11H15NO
Molecular Weight178.25 g/mol
Exact Mass178.12
IUPAC Name7-deuterio-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinoline
SMILES[2H]c1cc2c(cc1OC)CCN(C)C2
InChIInChI=1S/C11H15NO/c1-12-6-5-9-7-11(13-2)4-3-10(9)8-12/h3-4,7H,5-6,8H2,1-2H3/i4D
InChIKeyFXCIEQJPMSJEII-QYKNYGDISA-N
XLogP1.68
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.25
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6,16-dimethoxy-11-methyl-11-azatricyclo[12.4.0.03,8]octadeca-1(14),3(8),4,6,15,17-hexaene
CID 11573806
6-ethoxy-2-methyl-3,4-dihydro-1H-isoquinoline;hydrochloride
CID 3029133
2-methyl-6-phenoxy-3,4-dihydro-1H-isoquinoline
CID 166626286
7-deuterio-2-methyl-3,4-dihydro-1H-isoquinoline
CID 175786107
6-methoxysulfanyl-2-methyl-3,4-dihydro-1H-isoquinoline
CID 142522985
6-bromo-2-methyl-3,4-dihydro-1H-isoquinoline
CID 53408381
methane;2-methyl-3,4-dihydro-1H-isoquinoline
CID 161283116
2-methyl-6-pyrrolidin-3-yloxy-3,4-dihydro-1H-isoquinoline
CID 84695976
6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-amine
CID 59441854
7,8-dimethoxy-3-methyl-1,2,4,5-tetrahydro-3-benzazepine;hydrochloride
CID 23462892
methanol;2-methyl-3,4-dihydro-1H-isoquinoline
CID 142001874
17,18-dimethoxy-11-methyl-11-azatricyclo[13.4.0.04,9]nonadeca-1(19),4,6,8,15,17-hexaene
CID 46217704

Frequently Asked Questions

What is the IUPAC name of 7-deuterio-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinoline?
The IUPAC name of 7-deuterio-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinoline (CID 175826905) is 7-deuterio-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinoline.
What is the SMILES notation for 7-deuterio-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinoline?
The canonical SMILES for 7-deuterio-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinoline is [2H]c1cc2c(cc1OC)CCN(C)C2.
What is the InChIKey of 7-deuterio-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinoline?
The InChIKey is FXCIEQJPMSJEII-QYKNYGDISA-N. The full InChI is InChI=1S/C11H15NO/c1-12-6-5-9-7-11(13-2)4-3-10(9)8-12/h3-4,7H,5-6,8H2,1-2H3/i4D.
What are the key properties of 7-deuterio-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinoline?
7-deuterio-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinoline has a molecular weight of 178.25 g/mol, XLogP of 1.68, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-deuterio-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinoline is sourced from PubChem (CID 175826905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).