4-(piperidin-4-ylmethoxy)-3-thiophen-2-yl-1H-quinolin-2-one

C19H20N2O2S — CID 50917230

IUPAC4-(piperidin-4-ylmethoxy)-3-thiophen-2-yl-1H-quinolin-2-one
SMILESO=c1[nH]c2ccccc2c(OCC2CCNCC2)c1-c1cccs1
InChIInChI=1S/C19H20N2O2S/c22-19-17(16-6-3-11-24-16)18(14-4-1-2-5-15(14)21-19)23-12-13-7-9-20-10-8-13/h1-6,11,13,20H,7-10,12H2,(H,21,22)
InChIKeyUUMPUFYLJWCIRF-UHFFFAOYSA-N
MW340.45 g/mol
LogP3.63
Rot. Bonds4

About 4-(piperidin-4-ylmethoxy)-3-thiophen-2-yl-1H-quinolin-2-one

4-(piperidin-4-ylmethoxy)-3-thiophen-2-yl-1H-quinolin-2-one (PubChem CID 50917230) has the molecular formula C19H20N2O2S and a molecular weight of 340.45 g/mol. Its IUPAC name is 4-(piperidin-4-ylmethoxy)-3-thiophen-2-yl-1H-quinolin-2-one.

Molecular Properties

Compound Name4-(piperidin-4-ylmethoxy)-3-thiophen-2-yl-1H-quinolin-2-one
PubChem CID50917230
Molecular FormulaC19H20N2O2S
Molecular Weight340.45 g/mol
Exact Mass340.12
IUPAC Name4-(piperidin-4-ylmethoxy)-3-thiophen-2-yl-1H-quinolin-2-one
SMILESO=c1[nH]c2ccccc2c(OCC2CCNCC2)c1-c1cccs1
InChIInChI=1S/C19H20N2O2S/c22-19-17(16-6-3-11-24-16)18(14-4-1-2-5-15(14)21-19)23-12-13-7-9-20-10-8-13/h1-6,11,13,20H,7-10,12H2,(H,21,22)
InChIKeyUUMPUFYLJWCIRF-UHFFFAOYSA-N
XLogP3.63
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(piperidin-4-ylmethoxy)-3-thiophen-2-yl-1H-quinolin-2-one?
The IUPAC name of 4-(piperidin-4-ylmethoxy)-3-thiophen-2-yl-1H-quinolin-2-one (CID 50917230) is 4-(piperidin-4-ylmethoxy)-3-thiophen-2-yl-1H-quinolin-2-one.
What is the SMILES notation for 4-(piperidin-4-ylmethoxy)-3-thiophen-2-yl-1H-quinolin-2-one?
The canonical SMILES for 4-(piperidin-4-ylmethoxy)-3-thiophen-2-yl-1H-quinolin-2-one is O=c1[nH]c2ccccc2c(OCC2CCNCC2)c1-c1cccs1.
What is the InChIKey of 4-(piperidin-4-ylmethoxy)-3-thiophen-2-yl-1H-quinolin-2-one?
The InChIKey is UUMPUFYLJWCIRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2S/c22-19-17(16-6-3-11-24-16)18(14-4-1-2-5-15(14)21-19)23-12-13-7-9-20-10-8-13/h1-6,11,13,20H,7-10,12H2,(H,21,22).
What are the key properties of 4-(piperidin-4-ylmethoxy)-3-thiophen-2-yl-1H-quinolin-2-one?
4-(piperidin-4-ylmethoxy)-3-thiophen-2-yl-1H-quinolin-2-one has a molecular weight of 340.45 g/mol, XLogP of 3.63, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(piperidin-4-ylmethoxy)-3-thiophen-2-yl-1H-quinolin-2-one is sourced from PubChem (CID 50917230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).