5-methyl-2-(4-piperidin-1-ylpiperidine-1-carbonyl)thieno[3,2-c]quinolin-4-one

C23H27N3O2S — CID 20857497

IUPAC5-methyl-2-(4-piperidin-1-ylpiperidine-1-carbonyl)thieno[3,2-c]quinolin-4-one
SMILESCn1c(=O)c2cc(C(=O)N3CCC(N4CCCCC4)CC3)sc2c2ccccc21
InChIInChI=1S/C23H27N3O2S/c1-24-19-8-4-3-7-17(19)21-18(22(24)27)15-20(29-21)23(28)26-13-9-16(10-14-26)25-11-5-2-6-12-25/h3-4,7-8,15-16H,2,5-6,9-14H2,1H3
InChIKeyFRQRODXSYFTEKX-UHFFFAOYSA-N
MW409.56 g/mol
LogP3.84
Rot. Bonds2

About 5-methyl-2-(4-piperidin-1-ylpiperidine-1-carbonyl)thieno[3,2-c]quinolin-4-one

5-methyl-2-(4-piperidin-1-ylpiperidine-1-carbonyl)thieno[3,2-c]quinolin-4-one (PubChem CID 20857497) has the molecular formula C23H27N3O2S and a molecular weight of 409.56 g/mol. Its IUPAC name is 5-methyl-2-(4-piperidin-1-ylpiperidine-1-carbonyl)thieno[3,2-c]quinolin-4-one.

Molecular Properties

Compound Name5-methyl-2-(4-piperidin-1-ylpiperidine-1-carbonyl)thieno[3,2-c]quinolin-4-one
PubChem CID20857497
Molecular FormulaC23H27N3O2S
Molecular Weight409.56 g/mol
Exact Mass409.18
IUPAC Name5-methyl-2-(4-piperidin-1-ylpiperidine-1-carbonyl)thieno[3,2-c]quinolin-4-one
SMILESCn1c(=O)c2cc(C(=O)N3CCC(N4CCCCC4)CC3)sc2c2ccccc21
InChIInChI=1S/C23H27N3O2S/c1-24-19-8-4-3-7-17(19)21-18(22(24)27)15-20(29-21)23(28)26-13-9-16(10-14-26)25-11-5-2-6-12-25/h3-4,7-8,15-16H,2,5-6,9-14H2,1H3
InChIKeyFRQRODXSYFTEKX-UHFFFAOYSA-N
XLogP3.84
TPSA45.55 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.56
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-methyl-2-(4-piperidin-1-ylpiperidine-1-carbonyl)thieno[3,2-c]quinolin-4-one with MolForge

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Related Compounds

N-cyclohexyl-N,5-dimethyl-4-oxothieno[3,2-c]quinoline-2-carboxamide
CID 15995877
2-(4-benzylpiperidine-1-carbonyl)-5-ethylthieno[3,2-c]quinolin-4-one
CID 20865301
7-chloro-5-methyl-2-(4-phenylpiperazine-1-carbonyl)thieno[3,2-c]quinolin-4-one
CID 20857381
5-ethyl-2-(morpholine-4-carbonyl)thieno[3,2-c]quinolin-4-one
CID 5309656
3-(4-cyclohexylpiperazine-1-carbonyl)-1-methylquinoxalin-2-one
CID 46364975
5-methyl-4-oxo-N-[3-(4-propylpiperazin-1-yl)propyl]thieno[3,2-c]quinoline-2-carboxamide
CID 20857519
[4-(4-piperidin-1-ylpiperidine-1-carbonyl)phenyl]-(4-piperidin-1-ylpiperidin-1-yl)methanone
CID 70679311
2-[4-(4-chlorophenyl)piperazine-1-carbonyl]-5-ethylthieno[3,2-c]quinolin-4-one
CID 20865373
5-ethyl-2-[4-(4-fluorophenyl)piperazine-1-carbonyl]thieno[3,2-c]quinolin-4-one
CID 20865318
(2-bromophenyl)-(4-piperidin-1-ylpiperidin-1-yl)methanone
CID 60954591
[4-(methylamino)piperidin-1-yl]-thieno[3,2-b][1]benzothiol-2-ylmethanone
CID 119562691
N-cyclopentyl-5-ethyl-4-oxothieno[3,2-c]quinoline-2-carboxamide
CID 6622578

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(4-piperidin-1-ylpiperidine-1-carbonyl)thieno[3,2-c]quinolin-4-one?
The IUPAC name of 5-methyl-2-(4-piperidin-1-ylpiperidine-1-carbonyl)thieno[3,2-c]quinolin-4-one (CID 20857497) is 5-methyl-2-(4-piperidin-1-ylpiperidine-1-carbonyl)thieno[3,2-c]quinolin-4-one.
What is the SMILES notation for 5-methyl-2-(4-piperidin-1-ylpiperidine-1-carbonyl)thieno[3,2-c]quinolin-4-one?
The canonical SMILES for 5-methyl-2-(4-piperidin-1-ylpiperidine-1-carbonyl)thieno[3,2-c]quinolin-4-one is Cn1c(=O)c2cc(C(=O)N3CCC(N4CCCCC4)CC3)sc2c2ccccc21.
What is the InChIKey of 5-methyl-2-(4-piperidin-1-ylpiperidine-1-carbonyl)thieno[3,2-c]quinolin-4-one?
The InChIKey is FRQRODXSYFTEKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O2S/c1-24-19-8-4-3-7-17(19)21-18(22(24)27)15-20(29-21)23(28)26-13-9-16(10-14-26)25-11-5-2-6-12-25/h3-4,7-8,15-16H,2,5-6,9-14H2,1H3.
What are the key properties of 5-methyl-2-(4-piperidin-1-ylpiperidine-1-carbonyl)thieno[3,2-c]quinolin-4-one?
5-methyl-2-(4-piperidin-1-ylpiperidine-1-carbonyl)thieno[3,2-c]quinolin-4-one has a molecular weight of 409.56 g/mol, XLogP of 3.84, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(4-piperidin-1-ylpiperidine-1-carbonyl)thieno[3,2-c]quinolin-4-one is sourced from PubChem (CID 20857497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).