9-(2-piperidin-1-ylethoxy)-1,2,4,6-tetrahydrothiopyrano[3,4-c]quinolin-5-one;hydrochloride

C19H25ClN2O2S — CID 42606713

IUPAC9-(2-piperidin-1-ylethoxy)-1,2,4,6-tetrahydrothiopyrano[3,4-c]quinolin-5-one;hydrochloride
SMILESCl.O=c1[nH]c2ccc(OCCN3CCCCC3)cc2c2c1CSCC2
InChIInChI=1S/C19H24N2O2S.ClH/c22-19-17-13-24-11-6-15(17)16-12-14(4-5-18(16)20-19)23-10-9-21-7-2-1-3-8-21;/h4-5,12H,1-3,6-11,13H2,(H,20,22);1H
InChIKeyMAGUIHHENZVYMX-UHFFFAOYSA-N
MW380.94 g/mol
LogP3.60
Rot. Bonds4

About 9-(2-piperidin-1-ylethoxy)-1,2,4,6-tetrahydrothiopyrano[3,4-c]quinolin-5-one;hydrochloride

9-(2-piperidin-1-ylethoxy)-1,2,4,6-tetrahydrothiopyrano[3,4-c]quinolin-5-one;hydrochloride (PubChem CID 42606713) has the molecular formula C19H25ClN2O2S and a molecular weight of 380.94 g/mol. Its IUPAC name is 9-(2-piperidin-1-ylethoxy)-1,2,4,6-tetrahydrothiopyrano[3,4-c]quinolin-5-one;hydrochloride.

Molecular Properties

Compound Name9-(2-piperidin-1-ylethoxy)-1,2,4,6-tetrahydrothiopyrano[3,4-c]quinolin-5-one;hydrochloride
PubChem CID42606713
Molecular FormulaC19H25ClN2O2S
Molecular Weight380.94 g/mol
Exact Mass380.13
IUPAC Name9-(2-piperidin-1-ylethoxy)-1,2,4,6-tetrahydrothiopyrano[3,4-c]quinolin-5-one;hydrochloride
SMILESCl.O=c1[nH]c2ccc(OCCN3CCCCC3)cc2c2c1CSCC2
InChIInChI=1S/C19H24N2O2S.ClH/c22-19-17-13-24-11-6-15(17)16-12-14(4-5-18(16)20-19)23-10-9-21-7-2-1-3-8-21;/h4-5,12H,1-3,6-11,13H2,(H,20,22);1H
InChIKeyMAGUIHHENZVYMX-UHFFFAOYSA-N
XLogP3.60
TPSA45.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.94
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 9-(2-piperidin-1-ylethoxy)-1,2,4,6-tetrahydrothiopyrano[3,4-c]quinolin-5-one;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-methyl-9-(2-piperidin-1-ylethoxy)-2,3,4,6-tetrahydrobenzo[h][1,6]naphthyridin-5-one;dihydrochloride
CID 67381275
3-[4-[(5-oxo-1,2,4,6-tetrahydrothiopyrano[3,4-c]quinolin-9-yl)oxy]piperidin-1-yl]propanenitrile;hydrochloride
CID 68910039
9-(1-ethylpiperidin-4-yl)oxy-1,2,4,6-tetrahydrothiopyrano[3,4-c]quinolin-5-one
CID 42606825
9-(1-benzylpiperidin-4-yl)oxy-1,2,4,6-tetrahydrothiopyrano[3,4-c]quinolin-5-one;hydrochloride
CID 42607060
9-(4-piperidin-1-ylbutoxy)-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one
CID 58424941
3,8-bis[2-(azetidin-1-yl)ethoxy]-5H-phenanthridin-6-one
CID 57439766
2,6-bis[2-(azetidin-1-yl)ethoxy]-10H-acridin-9-one
CID 11406725
1-[2-(3,4-dimethylphenoxy)ethyl]azepane
CID 82086608
N-(3-aminopropyl)-5-oxo-1,2,4,6-tetrahydrothiopyrano[3,4-c]quinoline-9-carboxamide;hydrochloride
CID 42606475
8-methoxy-9-[4-(2-piperidin-1-ylethoxy)phenyl]-5H-thieno[2,3-c]quinolin-4-one
CID 67447559
1-[2-[7-(2-pyrrolidin-1-ylethoxy)dibenzothiophen-2-yl]oxyethyl]pyrrolidine
CID 67163021
2-(2-methyl-4-pyridinyl)-3-propan-2-yl-5-(2-pyrrolidin-1-ylethoxy)-1H-indole
CID 138688585

Frequently Asked Questions

What is the IUPAC name of 9-(2-piperidin-1-ylethoxy)-1,2,4,6-tetrahydrothiopyrano[3,4-c]quinolin-5-one;hydrochloride?
The IUPAC name of 9-(2-piperidin-1-ylethoxy)-1,2,4,6-tetrahydrothiopyrano[3,4-c]quinolin-5-one;hydrochloride (CID 42606713) is 9-(2-piperidin-1-ylethoxy)-1,2,4,6-tetrahydrothiopyrano[3,4-c]quinolin-5-one;hydrochloride.
What is the SMILES notation for 9-(2-piperidin-1-ylethoxy)-1,2,4,6-tetrahydrothiopyrano[3,4-c]quinolin-5-one;hydrochloride?
The canonical SMILES for 9-(2-piperidin-1-ylethoxy)-1,2,4,6-tetrahydrothiopyrano[3,4-c]quinolin-5-one;hydrochloride is Cl.O=c1[nH]c2ccc(OCCN3CCCCC3)cc2c2c1CSCC2.
What is the InChIKey of 9-(2-piperidin-1-ylethoxy)-1,2,4,6-tetrahydrothiopyrano[3,4-c]quinolin-5-one;hydrochloride?
The InChIKey is MAGUIHHENZVYMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2S.ClH/c22-19-17-13-24-11-6-15(17)16-12-14(4-5-18(16)20-19)23-10-9-21-7-2-1-3-8-21;/h4-5,12H,1-3,6-11,13H2,(H,20,22);1H.
What are the key properties of 9-(2-piperidin-1-ylethoxy)-1,2,4,6-tetrahydrothiopyrano[3,4-c]quinolin-5-one;hydrochloride?
9-(2-piperidin-1-ylethoxy)-1,2,4,6-tetrahydrothiopyrano[3,4-c]quinolin-5-one;hydrochloride has a molecular weight of 380.94 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2-piperidin-1-ylethoxy)-1,2,4,6-tetrahydrothiopyrano[3,4-c]quinolin-5-one;hydrochloride is sourced from PubChem (CID 42606713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).