2-(3,5-difluorophenyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline

C17H17F2NO2 — CID 165412726

IUPAC2-(3,5-difluorophenyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline
SMILESCOc1cc2c(cc1OC)CN(c1cc(F)cc(F)c1)CC2
InChIInChI=1S/C17H17F2NO2/c1-21-16-5-11-3-4-20(10-12(11)6-17(16)22-2)15-8-13(18)7-14(19)9-15/h5-9H,3-4,10H2,1-2H3
InChIKeyXZTKRGSHRFWZIG-UHFFFAOYSA-N
MW305.32 g/mol
LogP3.54
Rot. Bonds3

About 2-(3,5-difluorophenyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline

2-(3,5-difluorophenyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline (PubChem CID 165412726) has the molecular formula C17H17F2NO2 and a molecular weight of 305.32 g/mol. Its IUPAC name is 2-(3,5-difluorophenyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline.

Molecular Properties

Compound Name2-(3,5-difluorophenyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline
PubChem CID165412726
Molecular FormulaC17H17F2NO2
Molecular Weight305.32 g/mol
Exact Mass305.12
IUPAC Name2-(3,5-difluorophenyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline
SMILESCOc1cc2c(cc1OC)CN(c1cc(F)cc(F)c1)CC2
InChIInChI=1S/C17H17F2NO2/c1-21-16-5-11-3-4-20(10-12(11)6-17(16)22-2)15-8-13(18)7-14(19)9-15/h5-9H,3-4,10H2,1-2H3
InChIKeyXZTKRGSHRFWZIG-UHFFFAOYSA-N
XLogP3.54
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.32
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline
CID 14660144
1-(3-fluoro-5-methoxyphenyl)pyrrolidin-3-one
CID 130500147
2-(3-hydroxy-4-methoxyphenyl)-7-methoxy-3,4-dihydro-1H-isoquinolin-6-ol
CID 69471549
2-(3,4-difluoro-5-methoxyphenyl)-6-methoxy-3,4-dihydro-1H-2,7-naphthyridine
CID 121456143
2-[(3,5-difluorophenyl)methyl]-7-methoxy-3,4-dihydro-1H-isoquinolin-6-ol
CID 91227364
7,8-dimethoxy-3-methyl-1,2,4,5-tetrahydro-3-benzazepine;hydrochloride
CID 23462892
2-[(3,5-difluorophenyl)methyl]-7-methoxy-6-phenylmethoxy-3,4-dihydro-1H-isoquinoline
CID 91109625
[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl] 3,5-difluorobenzoate
CID 8807770
5-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-1,3,4-oxadiazol-2-amine
CID 103436503
5-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)pyrazin-2-amine
CID 80651956
(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl-trimethylsilane
CID 10085031
2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-(4-fluorophenyl)-6-methylpyrimidin-4-amine
CID 112924622

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-difluorophenyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline?
The IUPAC name of 2-(3,5-difluorophenyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline (CID 165412726) is 2-(3,5-difluorophenyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline.
What is the SMILES notation for 2-(3,5-difluorophenyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline?
The canonical SMILES for 2-(3,5-difluorophenyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline is COc1cc2c(cc1OC)CN(c1cc(F)cc(F)c1)CC2.
What is the InChIKey of 2-(3,5-difluorophenyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline?
The InChIKey is XZTKRGSHRFWZIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F2NO2/c1-21-16-5-11-3-4-20(10-12(11)6-17(16)22-2)15-8-13(18)7-14(19)9-15/h5-9H,3-4,10H2,1-2H3.
What are the key properties of 2-(3,5-difluorophenyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline?
2-(3,5-difluorophenyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline has a molecular weight of 305.32 g/mol, XLogP of 3.54, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-difluorophenyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline is sourced from PubChem (CID 165412726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).