2-butoxy-5-cyclohexyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline;hydrochloride

C22H34ClNO2 — CID 140665095

IUPAC2-butoxy-5-cyclohexyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline;hydrochloride
SMILESCCCCOC1CCC2C(O1)c1ccccc1NC2C1CCCCC1.Cl
InChIInChI=1S/C22H33NO2.ClH/c1-2-3-15-24-20-14-13-18-21(16-9-5-4-6-10-16)23-19-12-8-7-11-17(19)22(18)25-20;/h7-8,11-12,16,18,20-23H,2-6,9-10,13-15H2,1H3;1H
InChIKeyAHIDMWMADCDLER-UHFFFAOYSA-N
MW379.97 g/mol
LogP6.09
Rot. Bonds5

About 2-butoxy-5-cyclohexyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline;hydrochloride

2-butoxy-5-cyclohexyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline;hydrochloride (PubChem CID 140665095) has the molecular formula C22H34ClNO2 and a molecular weight of 379.97 g/mol. Its IUPAC name is 2-butoxy-5-cyclohexyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline;hydrochloride.

Molecular Properties

Compound Name2-butoxy-5-cyclohexyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline;hydrochloride
PubChem CID140665095
Molecular FormulaC22H34ClNO2
Molecular Weight379.97 g/mol
Exact Mass379.23
IUPAC Name2-butoxy-5-cyclohexyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline;hydrochloride
SMILESCCCCOC1CCC2C(O1)c1ccccc1NC2C1CCCCC1.Cl
InChIInChI=1S/C22H33NO2.ClH/c1-2-3-15-24-20-14-13-18-21(16-9-5-4-6-10-16)23-19-12-8-7-11-17(19)22(18)25-20;/h7-8,11-12,16,18,20-23H,2-6,9-10,13-15H2,1H3;1H
InChIKeyAHIDMWMADCDLER-UHFFFAOYSA-N
XLogP6.09
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.97
LogP ≤ 56.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-butoxy-5-cyclohexyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline;hydrochloride with MolForge

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Launch Full Analysis

Related Compounds

(3aS,4S,9bS)-4-cyclohexyl-8-pentyl-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinoline
CID 71655613
(2R,4S)-4-butoxy-2-methyl-1,2,3,4-tetrahydroquinoline
CID 25242139
(4aS,5R,10bS)-9-butoxy-5-cyclohexyl-8-fluoro-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline;hydrochloride
CID 71667964
(4aS,5S,10bS)-5-cyclopentyl-9-(3-methylbutoxy)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline
CID 71655747
(4aS,5R,10bS)-5-cyclohexyl-9-[(4-fluorophenyl)methoxy]-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline;hydrochloride
CID 71666954
(3aS,9bS)-8-pentyl-4-(thian-4-yl)-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinoline
CID 126634230
7-hexoxybicyclo[4.2.0]octa-1,3,5-triene
CID 122208722
2-decoxy-6-methyloxane
CID 160930984
(4aS,5R,10bS)-5-cyclopentyl-N,N-diethyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline-9-sulfonamide
CID 71666947
(4aS,5S,10bS)-9-butoxy-5-methyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline
CID 163853713
(2R,3S)-5-butoxy-3-[(2-methylphenyl)methyl]-2-pentyloxolane
CID 101139368
5-cyclopentyl-9-(trifluoromethoxy)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline
CID 78144869

Frequently Asked Questions

What is the IUPAC name of 2-butoxy-5-cyclohexyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline;hydrochloride?
The IUPAC name of 2-butoxy-5-cyclohexyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline;hydrochloride (CID 140665095) is 2-butoxy-5-cyclohexyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline;hydrochloride.
What is the SMILES notation for 2-butoxy-5-cyclohexyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline;hydrochloride?
The canonical SMILES for 2-butoxy-5-cyclohexyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline;hydrochloride is CCCCOC1CCC2C(O1)c1ccccc1NC2C1CCCCC1.Cl.
What is the InChIKey of 2-butoxy-5-cyclohexyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline;hydrochloride?
The InChIKey is AHIDMWMADCDLER-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33NO2.ClH/c1-2-3-15-24-20-14-13-18-21(16-9-5-4-6-10-16)23-19-12-8-7-11-17(19)22(18)25-20;/h7-8,11-12,16,18,20-23H,2-6,9-10,13-15H2,1H3;1H.
What are the key properties of 2-butoxy-5-cyclohexyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline;hydrochloride?
2-butoxy-5-cyclohexyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline;hydrochloride has a molecular weight of 379.97 g/mol, XLogP of 6.09, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butoxy-5-cyclohexyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline;hydrochloride is sourced from PubChem (CID 140665095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).