(1R)-6,7-dimethoxy-2-[(2R)-2-methylpyrrolidin-1-yl]-1-phenyl-3,4-dihydro-1H-isoquinoline

C22H28N2O2 — CID 134925157

IUPAC(1R)-6,7-dimethoxy-2-[(2R)-2-methylpyrrolidin-1-yl]-1-phenyl-3,4-dihydro-1H-isoquinoline
SMILESCOc1cc2c(cc1OC)[C@@H](c1ccccc1)N(N1CCC[C@H]1C)CC2
InChIInChI=1S/C22H28N2O2/c1-16-8-7-12-23(16)24-13-11-18-14-20(25-2)21(26-3)15-19(18)22(24)17-9-5-4-6-10-17/h4-6,9-10,14-16,22H,7-8,11-13H2,1-3H3/t16-,22-/m1/s1
InChIKeyAJZLCHWXISCVKP-OPAMFIHVSA-N
MW352.48 g/mol
LogP4.05
Rot. Bonds4

About (1R)-6,7-dimethoxy-2-[(2R)-2-methylpyrrolidin-1-yl]-1-phenyl-3,4-dihydro-1H-isoquinoline

(1R)-6,7-dimethoxy-2-[(2R)-2-methylpyrrolidin-1-yl]-1-phenyl-3,4-dihydro-1H-isoquinoline (PubChem CID 134925157) has the molecular formula C22H28N2O2 and a molecular weight of 352.48 g/mol. Its IUPAC name is (1R)-6,7-dimethoxy-2-[(2R)-2-methylpyrrolidin-1-yl]-1-phenyl-3,4-dihydro-1H-isoquinoline.

Molecular Properties

Compound Name(1R)-6,7-dimethoxy-2-[(2R)-2-methylpyrrolidin-1-yl]-1-phenyl-3,4-dihydro-1H-isoquinoline
PubChem CID134925157
Molecular FormulaC22H28N2O2
Molecular Weight352.48 g/mol
Exact Mass352.22
IUPAC Name(1R)-6,7-dimethoxy-2-[(2R)-2-methylpyrrolidin-1-yl]-1-phenyl-3,4-dihydro-1H-isoquinoline
SMILESCOc1cc2c(cc1OC)[C@@H](c1ccccc1)N(N1CCC[C@H]1C)CC2
InChIInChI=1S/C22H28N2O2/c1-16-8-7-12-23(16)24-13-11-18-14-20(25-2)21(26-3)15-19(18)22(24)17-9-5-4-6-10-17/h4-6,9-10,14-16,22H,7-8,11-13H2,1-3H3/t16-,22-/m1/s1
InChIKeyAJZLCHWXISCVKP-OPAMFIHVSA-N
XLogP4.05
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1R)-6,7-dimethoxy-2-[(2R)-2-methylpyrrolidin-1-yl]-1-phenyl-3,4-dihydro-1H-isoquinoline?
The IUPAC name of (1R)-6,7-dimethoxy-2-[(2R)-2-methylpyrrolidin-1-yl]-1-phenyl-3,4-dihydro-1H-isoquinoline (CID 134925157) is (1R)-6,7-dimethoxy-2-[(2R)-2-methylpyrrolidin-1-yl]-1-phenyl-3,4-dihydro-1H-isoquinoline.
What is the SMILES notation for (1R)-6,7-dimethoxy-2-[(2R)-2-methylpyrrolidin-1-yl]-1-phenyl-3,4-dihydro-1H-isoquinoline?
The canonical SMILES for (1R)-6,7-dimethoxy-2-[(2R)-2-methylpyrrolidin-1-yl]-1-phenyl-3,4-dihydro-1H-isoquinoline is COc1cc2c(cc1OC)[C@@H](c1ccccc1)N(N1CCC[C@H]1C)CC2.
What is the InChIKey of (1R)-6,7-dimethoxy-2-[(2R)-2-methylpyrrolidin-1-yl]-1-phenyl-3,4-dihydro-1H-isoquinoline?
The InChIKey is AJZLCHWXISCVKP-OPAMFIHVSA-N. The full InChI is InChI=1S/C22H28N2O2/c1-16-8-7-12-23(16)24-13-11-18-14-20(25-2)21(26-3)15-19(18)22(24)17-9-5-4-6-10-17/h4-6,9-10,14-16,22H,7-8,11-13H2,1-3H3/t16-,22-/m1/s1.
What are the key properties of (1R)-6,7-dimethoxy-2-[(2R)-2-methylpyrrolidin-1-yl]-1-phenyl-3,4-dihydro-1H-isoquinoline?
(1R)-6,7-dimethoxy-2-[(2R)-2-methylpyrrolidin-1-yl]-1-phenyl-3,4-dihydro-1H-isoquinoline has a molecular weight of 352.48 g/mol, XLogP of 4.05, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-6,7-dimethoxy-2-[(2R)-2-methylpyrrolidin-1-yl]-1-phenyl-3,4-dihydro-1H-isoquinoline is sourced from PubChem (CID 134925157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).