6,7-dimethoxy-1-methylspiro[4H-isoquinoline-3,1'-cyclohexane]

C17H23NO2 — CID 685907

IUPAC6,7-dimethoxy-1-methylspiro[4H-isoquinoline-3,1'-cyclohexane]
SMILESCOc1cc2c(cc1OC)C(C)=NC1(CCCCC1)C2
InChIInChI=1S/C17H23NO2/c1-12-14-10-16(20-3)15(19-2)9-13(14)11-17(18-12)7-5-4-6-8-17/h9-10H,4-8,11H2,1-3H3
InChIKeyFIRMLYMKEUTOGJ-UHFFFAOYSA-N
MW273.38 g/mol
LogP3.77
Rot. Bonds2

About 6,7-dimethoxy-1-methylspiro[4H-isoquinoline-3,1'-cyclohexane]

6,7-dimethoxy-1-methylspiro[4H-isoquinoline-3,1'-cyclohexane] (PubChem CID 685907) has the molecular formula C17H23NO2 and a molecular weight of 273.38 g/mol. Its IUPAC name is 6,7-dimethoxy-1-methylspiro[4H-isoquinoline-3,1'-cyclohexane].

Molecular Properties

Compound Name6,7-dimethoxy-1-methylspiro[4H-isoquinoline-3,1'-cyclohexane]
PubChem CID685907
Molecular FormulaC17H23NO2
Molecular Weight273.38 g/mol
Exact Mass273.17
IUPAC Name6,7-dimethoxy-1-methylspiro[4H-isoquinoline-3,1'-cyclohexane]
SMILESCOc1cc2c(cc1OC)C(C)=NC1(CCCCC1)C2
InChIInChI=1S/C17H23NO2/c1-12-14-10-16(20-3)15(19-2)9-13(14)11-17(18-12)7-5-4-6-8-17/h9-10H,4-8,11H2,1-3H3
InChIKeyFIRMLYMKEUTOGJ-UHFFFAOYSA-N
XLogP3.77
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 53.77
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-methylspiro[4H-isoquinoline-3,1'-cyclohexane]?
The IUPAC name of 6,7-dimethoxy-1-methylspiro[4H-isoquinoline-3,1'-cyclohexane] (CID 685907) is 6,7-dimethoxy-1-methylspiro[4H-isoquinoline-3,1'-cyclohexane].
What is the SMILES notation for 6,7-dimethoxy-1-methylspiro[4H-isoquinoline-3,1'-cyclohexane]?
The canonical SMILES for 6,7-dimethoxy-1-methylspiro[4H-isoquinoline-3,1'-cyclohexane] is COc1cc2c(cc1OC)C(C)=NC1(CCCCC1)C2.
What is the InChIKey of 6,7-dimethoxy-1-methylspiro[4H-isoquinoline-3,1'-cyclohexane]?
The InChIKey is FIRMLYMKEUTOGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO2/c1-12-14-10-16(20-3)15(19-2)9-13(14)11-17(18-12)7-5-4-6-8-17/h9-10H,4-8,11H2,1-3H3.
What are the key properties of 6,7-dimethoxy-1-methylspiro[4H-isoquinoline-3,1'-cyclohexane]?
6,7-dimethoxy-1-methylspiro[4H-isoquinoline-3,1'-cyclohexane] has a molecular weight of 273.38 g/mol, XLogP of 3.77, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-1-methylspiro[4H-isoquinoline-3,1'-cyclohexane] is sourced from PubChem (CID 685907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).