9-[4-(1-methylpiperidin-4-yl)piperazine-1-carbonyl]-1,2,4,6-tetrahydrothiopyrano[3,4-c]quinolin-5-one

C23H30N4O2S — CID 42606245

IUPAC9-[4-(1-methylpiperidin-4-yl)piperazine-1-carbonyl]-1,2,4,6-tetrahydrothiopyrano[3,4-c]quinolin-5-one
SMILESCN1CCC(N2CCN(C(=O)c3ccc4[nH]c(=O)c5c(c4c3)CCSC5)CC2)CC1
InChIInChI=1S/C23H30N4O2S/c1-25-7-4-17(5-8-25)26-9-11-27(12-10-26)23(29)16-2-3-21-19(14-16)18-6-13-30-15-20(18)22(28)24-21/h2-3,14,17H,4-13,15H2,1H3,(H,24,28)
InChIKeyMQHFGXDWAUEPHD-UHFFFAOYSA-N
MW426.59 g/mol
LogP2.17
Rot. Bonds2

About 9-[4-(1-methylpiperidin-4-yl)piperazine-1-carbonyl]-1,2,4,6-tetrahydrothiopyrano[3,4-c]quinolin-5-one

9-[4-(1-methylpiperidin-4-yl)piperazine-1-carbonyl]-1,2,4,6-tetrahydrothiopyrano[3,4-c]quinolin-5-one (PubChem CID 42606245) has the molecular formula C23H30N4O2S and a molecular weight of 426.59 g/mol. Its IUPAC name is 9-[4-(1-methylpiperidin-4-yl)piperazine-1-carbonyl]-1,2,4,6-tetrahydrothiopyrano[3,4-c]quinolin-5-one.

Molecular Properties

Compound Name9-[4-(1-methylpiperidin-4-yl)piperazine-1-carbonyl]-1,2,4,6-tetrahydrothiopyrano[3,4-c]quinolin-5-one
PubChem CID42606245
Molecular FormulaC23H30N4O2S
Molecular Weight426.59 g/mol
Exact Mass426.21
IUPAC Name9-[4-(1-methylpiperidin-4-yl)piperazine-1-carbonyl]-1,2,4,6-tetrahydrothiopyrano[3,4-c]quinolin-5-one
SMILESCN1CCC(N2CCN(C(=O)c3ccc4[nH]c(=O)c5c(c4c3)CCSC5)CC2)CC1
InChIInChI=1S/C23H30N4O2S/c1-25-7-4-17(5-8-25)26-9-11-27(12-10-26)23(29)16-2-3-21-19(14-16)18-6-13-30-15-20(18)22(28)24-21/h2-3,14,17H,4-13,15H2,1H3,(H,24,28)
InChIKeyMQHFGXDWAUEPHD-UHFFFAOYSA-N
XLogP2.17
TPSA59.65 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.59
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 9-[4-(1-methylpiperidin-4-yl)piperazine-1-carbonyl]-1,2,4,6-tetrahydrothiopyrano[3,4-c]quinolin-5-one with MolForge

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Related Compounds

1-methyl-6-[4-(1-methylpiperidin-4-yl)piperazine-1-carbonyl]quinolin-2-one
CID 50840864
9-(1-ethylpiperidin-4-yl)oxy-1,2,4,6-tetrahydrothiopyrano[3,4-c]quinolin-5-one
CID 42606825
(2,3-dimethyl-1H-indol-5-yl)-thiomorpholin-4-ylmethanone
CID 43581955
5-methyl-7-[4-(1-methylpiperidin-4-yl)piperazine-1-carbonyl]pyrazolo[1,5-a]quinoxalin-4-one
CID 53186536
(2-cyclopentyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-8-yl)-(4-methylpiperidin-1-yl)methanone;ethane
CID 143296321
(2-cyclohexyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-8-yl)-(4-methylpiperidin-1-yl)methanone
CID 173179128
(3-chlorophenyl)-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]methanone
CID 3824852
(5-methoxy-3-methyl-1H-indol-2-yl)-[4-(thian-4-yl)piperazin-1-yl]methanone
CID 74244391
[2-(3,4-dimethoxyphenyl)-3-propan-2-yl-1H-indol-5-yl]-[2-(1-methylpiperidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]methanone
CID 155210909
2-[2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidine-1-carbonyl]phenyl]guanidine
CID 123698522
(2,4-dimethylquinolin-7-yl)-(4-thiomorpholin-4-ylpiperidin-1-yl)methanone
CID 77096580
(4-cyclopropylpiperazin-1-yl)-naphthalen-2-ylmethanone
CID 35280934

Frequently Asked Questions

What is the IUPAC name of 9-[4-(1-methylpiperidin-4-yl)piperazine-1-carbonyl]-1,2,4,6-tetrahydrothiopyrano[3,4-c]quinolin-5-one?
The IUPAC name of 9-[4-(1-methylpiperidin-4-yl)piperazine-1-carbonyl]-1,2,4,6-tetrahydrothiopyrano[3,4-c]quinolin-5-one (CID 42606245) is 9-[4-(1-methylpiperidin-4-yl)piperazine-1-carbonyl]-1,2,4,6-tetrahydrothiopyrano[3,4-c]quinolin-5-one.
What is the SMILES notation for 9-[4-(1-methylpiperidin-4-yl)piperazine-1-carbonyl]-1,2,4,6-tetrahydrothiopyrano[3,4-c]quinolin-5-one?
The canonical SMILES for 9-[4-(1-methylpiperidin-4-yl)piperazine-1-carbonyl]-1,2,4,6-tetrahydrothiopyrano[3,4-c]quinolin-5-one is CN1CCC(N2CCN(C(=O)c3ccc4[nH]c(=O)c5c(c4c3)CCSC5)CC2)CC1.
What is the InChIKey of 9-[4-(1-methylpiperidin-4-yl)piperazine-1-carbonyl]-1,2,4,6-tetrahydrothiopyrano[3,4-c]quinolin-5-one?
The InChIKey is MQHFGXDWAUEPHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O2S/c1-25-7-4-17(5-8-25)26-9-11-27(12-10-26)23(29)16-2-3-21-19(14-16)18-6-13-30-15-20(18)22(28)24-21/h2-3,14,17H,4-13,15H2,1H3,(H,24,28).
What are the key properties of 9-[4-(1-methylpiperidin-4-yl)piperazine-1-carbonyl]-1,2,4,6-tetrahydrothiopyrano[3,4-c]quinolin-5-one?
9-[4-(1-methylpiperidin-4-yl)piperazine-1-carbonyl]-1,2,4,6-tetrahydrothiopyrano[3,4-c]quinolin-5-one has a molecular weight of 426.59 g/mol, XLogP of 2.17, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-(1-methylpiperidin-4-yl)piperazine-1-carbonyl]-1,2,4,6-tetrahydrothiopyrano[3,4-c]quinolin-5-one is sourced from PubChem (CID 42606245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).