9-(1-benzylpiperidin-4-yl)oxy-1,2,4,6-tetrahydrothiopyrano[3,4-c]quinolin-5-one;hydrochloride

C24H27ClN2O2S — CID 42607060

IUPAC9-(1-benzylpiperidin-4-yl)oxy-1,2,4,6-tetrahydrothiopyrano[3,4-c]quinolin-5-one;hydrochloride
SMILESCl.O=c1[nH]c2ccc(OC3CCN(Cc4ccccc4)CC3)cc2c2c1CSCC2
InChIInChI=1S/C24H26N2O2S.ClH/c27-24-22-16-29-13-10-20(22)21-14-19(6-7-23(21)25-24)28-18-8-11-26(12-9-18)15-17-4-2-1-3-5-17;/h1-7,14,18H,8-13,15-16H2,(H,25,27);1H
InChIKeyNOIBOVFEXRVAOA-UHFFFAOYSA-N
MW443.01 g/mol
LogP4.78
Rot. Bonds4

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

9-(1-benzylpiperidin-4-yl)oxy-1,2,4,6-tetrahydrothiopyrano[3,4-c]quinolin-5-one;hydrochloride (PubChem CID 42607060) has the molecular formula C24H27ClN2O2S and a molecular weight of 443.01 g/mol. Its IUPAC name is 9-(1-benzylpiperidin-4-yl)oxy-1,2,4,6-tetrahydrothiopyrano[3,4-c]quinolin-5-one;hydrochloride.

Molecular Properties

Compound Name9-(1-benzylpiperidin-4-yl)oxy-1,2,4,6-tetrahydrothiopyrano[3,4-c]quinolin-5-one;hydrochloride
PubChem CID42607060
Molecular FormulaC24H27ClN2O2S
Molecular Weight443.01 g/mol
Exact Mass442.15
IUPAC Name9-(1-benzylpiperidin-4-yl)oxy-1,2,4,6-tetrahydrothiopyrano[3,4-c]quinolin-5-one;hydrochloride
SMILESCl.O=c1[nH]c2ccc(OC3CCN(Cc4ccccc4)CC3)cc2c2c1CSCC2
InChIInChI=1S/C24H26N2O2S.ClH/c27-24-22-16-29-13-10-20(22)21-14-19(6-7-23(21)25-24)28-18-8-11-26(12-9-18)15-17-4-2-1-3-5-17;/h1-7,14,18H,8-13,15-16H2,(H,25,27);1H
InChIKeyNOIBOVFEXRVAOA-UHFFFAOYSA-N
XLogP4.78
TPSA45.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.01
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Related Compounds

2-[4-[(5-oxo-1,2,4,6-tetrahydrothiopyrano[3,4-c]quinolin-9-yl)oxy]piperidin-1-yl]acetic acid
CID 68912151
3-[4-[(5-oxo-1,2,4,6-tetrahydrothiopyrano[3,4-c]quinolin-9-yl)oxy]piperidin-1-yl]propanenitrile;hydrochloride
CID 68910039
1-methyl-4-[(4-phenoxypiperidin-1-yl)methyl]pyridin-2-one
CID 47545020
7-[1-[(3-chlorophenyl)methyl]piperidin-4-yl]oxy-3,4-dimethylchromen-2-one
CID 155532205
3-[5-(1-benzylpiperidin-4-yl)oxy-2-pyridinyl]-4H-1,2,4-oxadiazol-5-one
CID 177365363
1-methyl-9-piperidin-4-yloxy-2,3,4,6-tetrahydrobenzo[h][1,6]naphthyridin-5-one;dihydrochloride
CID 67381297
1-[(4-chlorophenyl)methyl]-4-(4-phenylphenoxy)piperidine
CID 174434003
2-benzyl-9-phenylmethoxy-1,3,4,4a,5,6,11,11a-octahydropyrido[4,3-b]carbazole
CID 162754911
1-benzyl-4-phenylmethoxypiperidine;hydrochloride
CID 18919828
4-phenoxy-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine;hydrochloride
CID 117068516
3-(1-benzylpiperidin-4-yl)oxy-N-[1-[iodo(phenyl)methyl]piperidin-4-yl]benzamide
CID 69045875
2-[3-[3-[(4-methylpiperidin-1-yl)methyl]phenoxy]propylamino]-3,5,7,8-tetrahydrothiopyrano[4,3-d]pyrimidin-4-one
CID 139610318

Frequently Asked Questions

What is the IUPAC name of 9-(1-benzylpiperidin-4-yl)oxy-1,2,4,6-tetrahydrothiopyrano[3,4-c]quinolin-5-one;hydrochloride?
The IUPAC name of 9-(1-benzylpiperidin-4-yl)oxy-1,2,4,6-tetrahydrothiopyrano[3,4-c]quinolin-5-one;hydrochloride (CID 42607060) is 9-(1-benzylpiperidin-4-yl)oxy-1,2,4,6-tetrahydrothiopyrano[3,4-c]quinolin-5-one;hydrochloride.
What is the SMILES notation for 9-(1-benzylpiperidin-4-yl)oxy-1,2,4,6-tetrahydrothiopyrano[3,4-c]quinolin-5-one;hydrochloride?
The canonical SMILES for 9-(1-benzylpiperidin-4-yl)oxy-1,2,4,6-tetrahydrothiopyrano[3,4-c]quinolin-5-one;hydrochloride is Cl.O=c1[nH]c2ccc(OC3CCN(Cc4ccccc4)CC3)cc2c2c1CSCC2.
What is the InChIKey of 9-(1-benzylpiperidin-4-yl)oxy-1,2,4,6-tetrahydrothiopyrano[3,4-c]quinolin-5-one;hydrochloride?
The InChIKey is NOIBOVFEXRVAOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O2S.ClH/c27-24-22-16-29-13-10-20(22)21-14-19(6-7-23(21)25-24)28-18-8-11-26(12-9-18)15-17-4-2-1-3-5-17;/h1-7,14,18H,8-13,15-16H2,(H,25,27);1H.
What are the key properties of 9-(1-benzylpiperidin-4-yl)oxy-1,2,4,6-tetrahydrothiopyrano[3,4-c]quinolin-5-one;hydrochloride?
9-(1-benzylpiperidin-4-yl)oxy-1,2,4,6-tetrahydrothiopyrano[3,4-c]quinolin-5-one;hydrochloride has a molecular weight of 443.01 g/mol, XLogP of 4.78, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(1-benzylpiperidin-4-yl)oxy-1,2,4,6-tetrahydrothiopyrano[3,4-c]quinolin-5-one;hydrochloride is sourced from PubChem (CID 42607060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).