3-(3-butyl-6-methoxy-2-methylquinolin-4-yl)sulfanylpropan-1-ol;hydrochloride

C18H26ClNO2S — CID 57386077

IUPAC3-(3-butyl-6-methoxy-2-methylquinolin-4-yl)sulfanylpropan-1-ol;hydrochloride
SMILESCCCCc1c(C)nc2ccc(OC)cc2c1SCCCO.Cl
InChIInChI=1S/C18H25NO2S.ClH/c1-4-5-7-15-13(2)19-17-9-8-14(21-3)12-16(17)18(15)22-11-6-10-20;/h8-9,12,20H,4-7,10-11H2,1-3H3;1H
InChIKeyHBUKASVRPKHPAV-UHFFFAOYSA-N
MW355.93 g/mol
LogP4.79
Rot. Bonds8

About 3-(3-butyl-6-methoxy-2-methylquinolin-4-yl)sulfanylpropan-1-ol;hydrochloride

3-(3-butyl-6-methoxy-2-methylquinolin-4-yl)sulfanylpropan-1-ol;hydrochloride (PubChem CID 57386077) has the molecular formula C18H26ClNO2S and a molecular weight of 355.93 g/mol. Its IUPAC name is 3-(3-butyl-6-methoxy-2-methylquinolin-4-yl)sulfanylpropan-1-ol;hydrochloride.

Molecular Properties

Compound Name3-(3-butyl-6-methoxy-2-methylquinolin-4-yl)sulfanylpropan-1-ol;hydrochloride
PubChem CID57386077
Molecular FormulaC18H26ClNO2S
Molecular Weight355.93 g/mol
Exact Mass355.14
IUPAC Name3-(3-butyl-6-methoxy-2-methylquinolin-4-yl)sulfanylpropan-1-ol;hydrochloride
SMILESCCCCc1c(C)nc2ccc(OC)cc2c1SCCCO.Cl
InChIInChI=1S/C18H25NO2S.ClH/c1-4-5-7-15-13(2)19-17-9-8-14(21-3)12-16(17)18(15)22-11-6-10-20;/h8-9,12,20H,4-7,10-11H2,1-3H3;1H
InChIKeyHBUKASVRPKHPAV-UHFFFAOYSA-N
XLogP4.79
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.93
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-(3-butyl-6-methoxy-2-methylquinolin-4-yl)sulfanylpropan-1-ol;hydrochloride with MolForge

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Related Compounds

6-Methoxyquinaldine
CID 70648
Ethanamine, N,N-dimethyl-2-((3-(2-methoxyphenyl)-2-quinolinyl)thio)-, monohydrochloride
CID 3069816
6-Ethoxy-2-methylquinoline
CID 81118
[(3-Butyl-8-methoxy-2-methylquinolin-4-yl)sulfanyl]acetic acid
CID 3838461
3-[(3-Ethyl-8-methoxy-2-methylquinolin-4-yl)sulfanyl]propanoic acid
CID 674073
Quinolinium, 1-ethyl-2-(ethylthio)-6-methoxy-, iodide (1:1)
CID 114298
3-(2,7-Dimethoxyacridin-9-ylthio)propan-1-amine
CID 53390843
N-cyclopentyl-2-[(6-methoxy-3-methyl-2-quinolinyl)thio]acetamide
CID 862401
6-Methoxy-2-methylthioquinoline-3-carbonitrile
CID 865458
3-[(6-Methoxy-4-methyl-2-quinolinyl)thio]propanoic acid
CID 939671
Ethyl 2-(6-methoxy-2-methylquinolin-4-yl)sulfanylbutanoate
CID 3168484
2-(2-Methyl-6-propoxy-3-propyl-quinolin-4-yl)-isothiourea
CID 16682433

Frequently Asked Questions

What is the IUPAC name of 3-(3-butyl-6-methoxy-2-methylquinolin-4-yl)sulfanylpropan-1-ol;hydrochloride?
The IUPAC name of 3-(3-butyl-6-methoxy-2-methylquinolin-4-yl)sulfanylpropan-1-ol;hydrochloride (CID 57386077) is 3-(3-butyl-6-methoxy-2-methylquinolin-4-yl)sulfanylpropan-1-ol;hydrochloride.
What is the SMILES notation for 3-(3-butyl-6-methoxy-2-methylquinolin-4-yl)sulfanylpropan-1-ol;hydrochloride?
The canonical SMILES for 3-(3-butyl-6-methoxy-2-methylquinolin-4-yl)sulfanylpropan-1-ol;hydrochloride is CCCCc1c(C)nc2ccc(OC)cc2c1SCCCO.Cl.
What is the InChIKey of 3-(3-butyl-6-methoxy-2-methylquinolin-4-yl)sulfanylpropan-1-ol;hydrochloride?
The InChIKey is HBUKASVRPKHPAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO2S.ClH/c1-4-5-7-15-13(2)19-17-9-8-14(21-3)12-16(17)18(15)22-11-6-10-20;/h8-9,12,20H,4-7,10-11H2,1-3H3;1H.
What are the key properties of 3-(3-butyl-6-methoxy-2-methylquinolin-4-yl)sulfanylpropan-1-ol;hydrochloride?
3-(3-butyl-6-methoxy-2-methylquinolin-4-yl)sulfanylpropan-1-ol;hydrochloride has a molecular weight of 355.93 g/mol, XLogP of 4.79, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-butyl-6-methoxy-2-methylquinolin-4-yl)sulfanylpropan-1-ol;hydrochloride is sourced from PubChem (CID 57386077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).