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

C20H22N2O2S — CID 126458371

IUPAC5-ethyl-2-(3-methylpiperidine-1-carbonyl)thieno[3,2-c]quinolin-4-one
SMILESCCn1c(=O)c2cc(C(=O)N3CCCC(C)C3)sc2c2ccccc21
InChIInChI=1S/C20H22N2O2S/c1-3-22-16-9-5-4-8-14(16)18-15(19(22)23)11-17(25-18)20(24)21-10-6-7-13(2)12-21/h4-5,8-9,11,13H,3,6-7,10,12H2,1-2H3
InChIKeyHAEDSKQPLGLCQL-UHFFFAOYSA-N
MW354.48 g/mol
LogP4.11
Rot. Bonds2

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

5-ethyl-2-(3-methylpiperidine-1-carbonyl)thieno[3,2-c]quinolin-4-one (PubChem CID 126458371) has the molecular formula C20H22N2O2S and a molecular weight of 354.48 g/mol. Its IUPAC name is 5-ethyl-2-(3-methylpiperidine-1-carbonyl)thieno[3,2-c]quinolin-4-one.

Molecular Properties

Compound Name5-ethyl-2-(3-methylpiperidine-1-carbonyl)thieno[3,2-c]quinolin-4-one
PubChem CID126458371
Molecular FormulaC20H22N2O2S
Molecular Weight354.48 g/mol
Exact Mass354.14
IUPAC Name5-ethyl-2-(3-methylpiperidine-1-carbonyl)thieno[3,2-c]quinolin-4-one
SMILESCCn1c(=O)c2cc(C(=O)N3CCCC(C)C3)sc2c2ccccc21
InChIInChI=1S/C20H22N2O2S/c1-3-22-16-9-5-4-8-14(16)18-15(19(22)23)11-17(25-18)20(24)21-10-6-7-13(2)12-21/h4-5,8-9,11,13H,3,6-7,10,12H2,1-2H3
InChIKeyHAEDSKQPLGLCQL-UHFFFAOYSA-N
XLogP4.11
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.48
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-(3-methylpiperidine-1-carbonyl)thieno[3,2-c]quinolin-4-one?
The IUPAC name of 5-ethyl-2-(3-methylpiperidine-1-carbonyl)thieno[3,2-c]quinolin-4-one (CID 126458371) is 5-ethyl-2-(3-methylpiperidine-1-carbonyl)thieno[3,2-c]quinolin-4-one.
What is the SMILES notation for 5-ethyl-2-(3-methylpiperidine-1-carbonyl)thieno[3,2-c]quinolin-4-one?
The canonical SMILES for 5-ethyl-2-(3-methylpiperidine-1-carbonyl)thieno[3,2-c]quinolin-4-one is CCn1c(=O)c2cc(C(=O)N3CCCC(C)C3)sc2c2ccccc21.
What is the InChIKey of 5-ethyl-2-(3-methylpiperidine-1-carbonyl)thieno[3,2-c]quinolin-4-one?
The InChIKey is HAEDSKQPLGLCQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O2S/c1-3-22-16-9-5-4-8-14(16)18-15(19(22)23)11-17(25-18)20(24)21-10-6-7-13(2)12-21/h4-5,8-9,11,13H,3,6-7,10,12H2,1-2H3.
What are the key properties of 5-ethyl-2-(3-methylpiperidine-1-carbonyl)thieno[3,2-c]quinolin-4-one?
5-ethyl-2-(3-methylpiperidine-1-carbonyl)thieno[3,2-c]quinolin-4-one has a molecular weight of 354.48 g/mol, XLogP of 4.11, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-(3-methylpiperidine-1-carbonyl)thieno[3,2-c]quinolin-4-one is sourced from PubChem (CID 126458371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).