3-(2-cyclohexylethyl)-6,7-dimethoxyquinoline

C19H25NO2 — CID 10040402

IUPAC3-(2-cyclohexylethyl)-6,7-dimethoxyquinoline
SMILESCOc1cc2cc(CCC3CCCCC3)cnc2cc1OC
InChIInChI=1S/C19H25NO2/c1-21-18-11-16-10-15(9-8-14-6-4-3-5-7-14)13-20-17(16)12-19(18)22-2/h10-14H,3-9H2,1-2H3
InChIKeyHLKSYKUFDFBKPC-UHFFFAOYSA-N
MW299.41 g/mol
LogP4.76
Rot. Bonds5

About 3-(2-cyclohexylethyl)-6,7-dimethoxyquinoline

3-(2-cyclohexylethyl)-6,7-dimethoxyquinoline (PubChem CID 10040402) has the molecular formula C19H25NO2 and a molecular weight of 299.41 g/mol. Its IUPAC name is 3-(2-cyclohexylethyl)-6,7-dimethoxyquinoline.

Molecular Properties

Compound Name3-(2-cyclohexylethyl)-6,7-dimethoxyquinoline
PubChem CID10040402
Molecular FormulaC19H25NO2
Molecular Weight299.41 g/mol
Exact Mass299.19
IUPAC Name3-(2-cyclohexylethyl)-6,7-dimethoxyquinoline
SMILESCOc1cc2cc(CCC3CCCCC3)cnc2cc1OC
InChIInChI=1S/C19H25NO2/c1-21-18-11-16-10-15(9-8-14-6-4-3-5-7-14)13-20-17(16)12-19(18)22-2/h10-14H,3-9H2,1-2H3
InChIKeyHLKSYKUFDFBKPC-UHFFFAOYSA-N
XLogP4.76
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.41
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-cyclohexylethyl)-6,7-dimethoxyquinoline?
The IUPAC name of 3-(2-cyclohexylethyl)-6,7-dimethoxyquinoline (CID 10040402) is 3-(2-cyclohexylethyl)-6,7-dimethoxyquinoline.
What is the SMILES notation for 3-(2-cyclohexylethyl)-6,7-dimethoxyquinoline?
The canonical SMILES for 3-(2-cyclohexylethyl)-6,7-dimethoxyquinoline is COc1cc2cc(CCC3CCCCC3)cnc2cc1OC.
What is the InChIKey of 3-(2-cyclohexylethyl)-6,7-dimethoxyquinoline?
The InChIKey is HLKSYKUFDFBKPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO2/c1-21-18-11-16-10-15(9-8-14-6-4-3-5-7-14)13-20-17(16)12-19(18)22-2/h10-14H,3-9H2,1-2H3.
What are the key properties of 3-(2-cyclohexylethyl)-6,7-dimethoxyquinoline?
3-(2-cyclohexylethyl)-6,7-dimethoxyquinoline has a molecular weight of 299.41 g/mol, XLogP of 4.76, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-cyclohexylethyl)-6,7-dimethoxyquinoline is sourced from PubChem (CID 10040402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).