1-cyclohexyl-6,7-dimethoxyisoquinoline

C17H21NO2 — CID 70208603

IUPAC1-cyclohexyl-6,7-dimethoxyisoquinoline
SMILESCOc1cc2ccnc(C3CCCCC3)c2cc1OC
InChIInChI=1S/C17H21NO2/c1-19-15-10-13-8-9-18-17(12-6-4-3-5-7-12)14(13)11-16(15)20-2/h8-12H,3-7H2,1-2H3
InChIKeyAMFLTBXVXVGLQM-UHFFFAOYSA-N
MW271.36 g/mol
LogP4.30
Rot. Bonds3

About 1-cyclohexyl-6,7-dimethoxyisoquinoline

1-cyclohexyl-6,7-dimethoxyisoquinoline (PubChem CID 70208603) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is 1-cyclohexyl-6,7-dimethoxyisoquinoline.

Molecular Properties

Compound Name1-cyclohexyl-6,7-dimethoxyisoquinoline
PubChem CID70208603
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC Name1-cyclohexyl-6,7-dimethoxyisoquinoline
SMILESCOc1cc2ccnc(C3CCCCC3)c2cc1OC
InChIInChI=1S/C17H21NO2/c1-19-15-10-13-8-9-18-17(12-6-4-3-5-7-12)14(13)11-16(15)20-2/h8-12H,3-7H2,1-2H3
InChIKeyAMFLTBXVXVGLQM-UHFFFAOYSA-N
XLogP4.30
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-6,7-dimethoxyisoquinoline?
The IUPAC name of 1-cyclohexyl-6,7-dimethoxyisoquinoline (CID 70208603) is 1-cyclohexyl-6,7-dimethoxyisoquinoline.
What is the SMILES notation for 1-cyclohexyl-6,7-dimethoxyisoquinoline?
The canonical SMILES for 1-cyclohexyl-6,7-dimethoxyisoquinoline is COc1cc2ccnc(C3CCCCC3)c2cc1OC.
What is the InChIKey of 1-cyclohexyl-6,7-dimethoxyisoquinoline?
The InChIKey is AMFLTBXVXVGLQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2/c1-19-15-10-13-8-9-18-17(12-6-4-3-5-7-12)14(13)11-16(15)20-2/h8-12H,3-7H2,1-2H3.
What are the key properties of 1-cyclohexyl-6,7-dimethoxyisoquinoline?
1-cyclohexyl-6,7-dimethoxyisoquinoline has a molecular weight of 271.36 g/mol, XLogP of 4.30, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-6,7-dimethoxyisoquinoline is sourced from PubChem (CID 70208603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).