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

C18H18N2O2S — CID 20857477

IUPAC5-methyl-2-(piperidine-1-carbonyl)thieno[3,2-c]quinolin-4-one
SMILESCn1c(=O)c2cc(C(=O)N3CCCCC3)sc2c2ccccc21
InChIInChI=1S/C18H18N2O2S/c1-19-14-8-4-3-7-12(14)16-13(17(19)21)11-15(23-16)18(22)20-9-5-2-6-10-20/h3-4,7-8,11H,2,5-6,9-10H2,1H3
InChIKeyHQMICIZZCUVBHZ-UHFFFAOYSA-N
MW326.42 g/mol
LogP3.38
Rot. Bonds1

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

5-methyl-2-(piperidine-1-carbonyl)thieno[3,2-c]quinolin-4-one (PubChem CID 20857477) has the molecular formula C18H18N2O2S and a molecular weight of 326.42 g/mol. Its IUPAC name is 5-methyl-2-(piperidine-1-carbonyl)thieno[3,2-c]quinolin-4-one.

Molecular Properties

Compound Name5-methyl-2-(piperidine-1-carbonyl)thieno[3,2-c]quinolin-4-one
PubChem CID20857477
Molecular FormulaC18H18N2O2S
Molecular Weight326.42 g/mol
Exact Mass326.11
IUPAC Name5-methyl-2-(piperidine-1-carbonyl)thieno[3,2-c]quinolin-4-one
SMILESCn1c(=O)c2cc(C(=O)N3CCCCC3)sc2c2ccccc21
InChIInChI=1S/C18H18N2O2S/c1-19-14-8-4-3-7-12(14)16-13(17(19)21)11-15(23-16)18(22)20-9-5-2-6-10-20/h3-4,7-8,11H,2,5-6,9-10H2,1H3
InChIKeyHQMICIZZCUVBHZ-UHFFFAOYSA-N
XLogP3.38
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(piperidine-1-carbonyl)thieno[3,2-c]quinolin-4-one?
The IUPAC name of 5-methyl-2-(piperidine-1-carbonyl)thieno[3,2-c]quinolin-4-one (CID 20857477) is 5-methyl-2-(piperidine-1-carbonyl)thieno[3,2-c]quinolin-4-one.
What is the SMILES notation for 5-methyl-2-(piperidine-1-carbonyl)thieno[3,2-c]quinolin-4-one?
The canonical SMILES for 5-methyl-2-(piperidine-1-carbonyl)thieno[3,2-c]quinolin-4-one is Cn1c(=O)c2cc(C(=O)N3CCCCC3)sc2c2ccccc21.
What is the InChIKey of 5-methyl-2-(piperidine-1-carbonyl)thieno[3,2-c]quinolin-4-one?
The InChIKey is HQMICIZZCUVBHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2S/c1-19-14-8-4-3-7-12(14)16-13(17(19)21)11-15(23-16)18(22)20-9-5-2-6-10-20/h3-4,7-8,11H,2,5-6,9-10H2,1H3.
What are the key properties of 5-methyl-2-(piperidine-1-carbonyl)thieno[3,2-c]quinolin-4-one?
5-methyl-2-(piperidine-1-carbonyl)thieno[3,2-c]quinolin-4-one has a molecular weight of 326.42 g/mol, XLogP of 3.38, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(piperidine-1-carbonyl)thieno[3,2-c]quinolin-4-one is sourced from PubChem (CID 20857477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).