6,7-dimethoxy-1,2-diphenyl-3,4-dihydro-1H-isoquinoline

C23H23NO2 — CID 122227728

IUPAC6,7-dimethoxy-1,2-diphenyl-3,4-dihydro-1H-isoquinoline
SMILESCOc1cc2c(cc1OC)C(c1ccccc1)N(c1ccccc1)CC2
InChIInChI=1S/C23H23NO2/c1-25-21-15-18-13-14-24(19-11-7-4-8-12-19)23(17-9-5-3-6-10-17)20(18)16-22(21)26-2/h3-12,15-16,23H,13-14H2,1-2H3
InChIKeyVIXXBEABIHVCLV-UHFFFAOYSA-N
MW345.44 g/mol
LogP4.86
Rot. Bonds4

About 6,7-dimethoxy-1,2-diphenyl-3,4-dihydro-1H-isoquinoline

6,7-dimethoxy-1,2-diphenyl-3,4-dihydro-1H-isoquinoline (PubChem CID 122227728) has the molecular formula C23H23NO2 and a molecular weight of 345.44 g/mol. Its IUPAC name is 6,7-dimethoxy-1,2-diphenyl-3,4-dihydro-1H-isoquinoline.

Molecular Properties

Compound Name6,7-dimethoxy-1,2-diphenyl-3,4-dihydro-1H-isoquinoline
PubChem CID122227728
Molecular FormulaC23H23NO2
Molecular Weight345.44 g/mol
Exact Mass345.17
IUPAC Name6,7-dimethoxy-1,2-diphenyl-3,4-dihydro-1H-isoquinoline
SMILESCOc1cc2c(cc1OC)C(c1ccccc1)N(c1ccccc1)CC2
InChIInChI=1S/C23H23NO2/c1-25-21-15-18-13-14-24(19-11-7-4-8-12-19)23(17-9-5-3-6-10-17)20(18)16-22(21)26-2/h3-12,15-16,23H,13-14H2,1-2H3
InChIKeyVIXXBEABIHVCLV-UHFFFAOYSA-N
XLogP4.86
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinoline-2-carbaldehyde
CID 11022872
4-[6,7-dimethoxy-2-(4-methoxyphenyl)-3,4-dihydro-1H-isoquinolin-1-yl]-N,N-dimethylaniline
CID 162403120
(1S)-2-benzyl-6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinoline
CID 25389894
1-(6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)ethanone
CID 4869004
2-[(1S)-6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl]acetic acid
CID 51434142
1-(6,7-dimethoxy-2-phenyl-3,4-dihydro-1H-isoquinolin-1-yl)-3,3-dimethylbutan-2-one
CID 135000084
2,4,5-trichloro-6-(6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)pyridine-3-carbonitrile
CID 3380851
(1R)-6,7-dimethoxy-2-[(2R)-2-methylpyrrolidin-1-yl]-1-phenyl-3,4-dihydro-1H-isoquinoline
CID 134925157
1-[(1R)-6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl]-3-methylbutan-1-one
CID 92760085
1-(6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)-3-methylsulfanylpropan-1-one
CID 112793788
[(1R)-6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl]-methylsulfonylmethanone
CID 7045475
1-(3-fluorophenyl)-6-methoxy-2-phenyl-3,4-dihydro-1H-isoquinoline
CID 13467513

Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-1,2-diphenyl-3,4-dihydro-1H-isoquinoline?
The IUPAC name of 6,7-dimethoxy-1,2-diphenyl-3,4-dihydro-1H-isoquinoline (CID 122227728) is 6,7-dimethoxy-1,2-diphenyl-3,4-dihydro-1H-isoquinoline.
What is the SMILES notation for 6,7-dimethoxy-1,2-diphenyl-3,4-dihydro-1H-isoquinoline?
The canonical SMILES for 6,7-dimethoxy-1,2-diphenyl-3,4-dihydro-1H-isoquinoline is COc1cc2c(cc1OC)C(c1ccccc1)N(c1ccccc1)CC2.
What is the InChIKey of 6,7-dimethoxy-1,2-diphenyl-3,4-dihydro-1H-isoquinoline?
The InChIKey is VIXXBEABIHVCLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23NO2/c1-25-21-15-18-13-14-24(19-11-7-4-8-12-19)23(17-9-5-3-6-10-17)20(18)16-22(21)26-2/h3-12,15-16,23H,13-14H2,1-2H3.
What are the key properties of 6,7-dimethoxy-1,2-diphenyl-3,4-dihydro-1H-isoquinoline?
6,7-dimethoxy-1,2-diphenyl-3,4-dihydro-1H-isoquinoline has a molecular weight of 345.44 g/mol, XLogP of 4.86, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-1,2-diphenyl-3,4-dihydro-1H-isoquinoline is sourced from PubChem (CID 122227728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).