6,7-dimethoxy-1-phenylspiro[4H-isoquinoline-3,1'-cyclopentane]

C21H23NO2 — CID 700221

IUPAC6,7-dimethoxy-1-phenylspiro[4H-isoquinoline-3,1'-cyclopentane]
SMILESCOc1cc2c(cc1OC)C(c1ccccc1)=NC1(CCCC1)C2
InChIInChI=1S/C21H23NO2/c1-23-18-12-16-14-21(10-6-7-11-21)22-20(15-8-4-3-5-9-15)17(16)13-19(18)24-2/h3-5,8-9,12-13H,6-7,10-11,14H2,1-2H3
InChIKeyBVIFBLQHDFHPFC-UHFFFAOYSA-N
MW321.42 g/mol
LogP4.41
Rot. Bonds3

About 6,7-dimethoxy-1-phenylspiro[4H-isoquinoline-3,1'-cyclopentane]

6,7-dimethoxy-1-phenylspiro[4H-isoquinoline-3,1'-cyclopentane] (PubChem CID 700221) has the molecular formula C21H23NO2 and a molecular weight of 321.42 g/mol. Its IUPAC name is 6,7-dimethoxy-1-phenylspiro[4H-isoquinoline-3,1'-cyclopentane].

Molecular Properties

Compound Name6,7-dimethoxy-1-phenylspiro[4H-isoquinoline-3,1'-cyclopentane]
PubChem CID700221
Molecular FormulaC21H23NO2
Molecular Weight321.42 g/mol
Exact Mass321.17
IUPAC Name6,7-dimethoxy-1-phenylspiro[4H-isoquinoline-3,1'-cyclopentane]
SMILESCOc1cc2c(cc1OC)C(c1ccccc1)=NC1(CCCC1)C2
InChIInChI=1S/C21H23NO2/c1-23-18-12-16-14-21(10-6-7-11-21)22-20(15-8-4-3-5-9-15)17(16)13-19(18)24-2/h3-5,8-9,12-13H,6-7,10-11,14H2,1-2H3
InChIKeyBVIFBLQHDFHPFC-UHFFFAOYSA-N
XLogP4.41
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-1-phenylspiro[4H-isoquinoline-3,1'-cyclopentane]?
The IUPAC name of 6,7-dimethoxy-1-phenylspiro[4H-isoquinoline-3,1'-cyclopentane] (CID 700221) is 6,7-dimethoxy-1-phenylspiro[4H-isoquinoline-3,1'-cyclopentane].
What is the SMILES notation for 6,7-dimethoxy-1-phenylspiro[4H-isoquinoline-3,1'-cyclopentane]?
The canonical SMILES for 6,7-dimethoxy-1-phenylspiro[4H-isoquinoline-3,1'-cyclopentane] is COc1cc2c(cc1OC)C(c1ccccc1)=NC1(CCCC1)C2.
What is the InChIKey of 6,7-dimethoxy-1-phenylspiro[4H-isoquinoline-3,1'-cyclopentane]?
The InChIKey is BVIFBLQHDFHPFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO2/c1-23-18-12-16-14-21(10-6-7-11-21)22-20(15-8-4-3-5-9-15)17(16)13-19(18)24-2/h3-5,8-9,12-13H,6-7,10-11,14H2,1-2H3.
What are the key properties of 6,7-dimethoxy-1-phenylspiro[4H-isoquinoline-3,1'-cyclopentane]?
6,7-dimethoxy-1-phenylspiro[4H-isoquinoline-3,1'-cyclopentane] has a molecular weight of 321.42 g/mol, XLogP of 4.41, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-1-phenylspiro[4H-isoquinoline-3,1'-cyclopentane] is sourced from PubChem (CID 700221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).