6,8-dimethoxyspiro[4H-isoquinoline-3,1'-cyclohexane]

C16H21NO2 — CID 171987548

IUPAC6,8-dimethoxyspiro[4H-isoquinoline-3,1'-cyclohexane]
SMILESCOc1cc2c(c(OC)c1)C=NC1(CCCCC1)C2
InChIInChI=1S/C16H21NO2/c1-18-13-8-12-10-16(6-4-3-5-7-16)17-11-14(12)15(9-13)19-2/h8-9,11H,3-7,10H2,1-2H3
InChIKeyOSUVDSHVFOZPPH-UHFFFAOYSA-N
MW259.35 g/mol
LogP3.38
Rot. Bonds2

About 6,8-dimethoxyspiro[4H-isoquinoline-3,1'-cyclohexane]

6,8-dimethoxyspiro[4H-isoquinoline-3,1'-cyclohexane] (PubChem CID 171987548) has the molecular formula C16H21NO2 and a molecular weight of 259.35 g/mol. Its IUPAC name is 6,8-dimethoxyspiro[4H-isoquinoline-3,1'-cyclohexane].

Molecular Properties

Compound Name6,8-dimethoxyspiro[4H-isoquinoline-3,1'-cyclohexane]
PubChem CID171987548
Molecular FormulaC16H21NO2
Molecular Weight259.35 g/mol
Exact Mass259.16
IUPAC Name6,8-dimethoxyspiro[4H-isoquinoline-3,1'-cyclohexane]
SMILESCOc1cc2c(c(OC)c1)C=NC1(CCCCC1)C2
InChIInChI=1S/C16H21NO2/c1-18-13-8-12-10-16(6-4-3-5-7-16)17-11-14(12)15(9-13)19-2/h8-9,11H,3-7,10H2,1-2H3
InChIKeyOSUVDSHVFOZPPH-UHFFFAOYSA-N
XLogP3.38
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6,8-dimethoxyspiro[4H-isoquinoline-3,1'-cyclohexane]?
The IUPAC name of 6,8-dimethoxyspiro[4H-isoquinoline-3,1'-cyclohexane] (CID 171987548) is 6,8-dimethoxyspiro[4H-isoquinoline-3,1'-cyclohexane].
What is the SMILES notation for 6,8-dimethoxyspiro[4H-isoquinoline-3,1'-cyclohexane]?
The canonical SMILES for 6,8-dimethoxyspiro[4H-isoquinoline-3,1'-cyclohexane] is COc1cc2c(c(OC)c1)C=NC1(CCCCC1)C2.
What is the InChIKey of 6,8-dimethoxyspiro[4H-isoquinoline-3,1'-cyclohexane]?
The InChIKey is OSUVDSHVFOZPPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO2/c1-18-13-8-12-10-16(6-4-3-5-7-16)17-11-14(12)15(9-13)19-2/h8-9,11H,3-7,10H2,1-2H3.
What are the key properties of 6,8-dimethoxyspiro[4H-isoquinoline-3,1'-cyclohexane]?
6,8-dimethoxyspiro[4H-isoquinoline-3,1'-cyclohexane] has a molecular weight of 259.35 g/mol, XLogP of 3.38, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dimethoxyspiro[4H-isoquinoline-3,1'-cyclohexane] is sourced from PubChem (CID 171987548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).