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

C25H24N2O2S — CID 50917040

IUPAC6-phenyl-4-(piperidin-4-ylmethoxy)-3-thiophen-2-yl-1H-quinolin-2-one
SMILESO=c1[nH]c2ccc(-c3ccccc3)cc2c(OCC2CCNCC2)c1-c1cccs1
InChIInChI=1S/C25H24N2O2S/c28-25-23(22-7-4-14-30-22)24(29-16-17-10-12-26-13-11-17)20-15-19(8-9-21(20)27-25)18-5-2-1-3-6-18/h1-9,14-15,17,26H,10-13,16H2,(H,27,28)
InChIKeyLAIZUIXTZHFUHV-UHFFFAOYSA-N
MW416.55 g/mol
LogP5.30
Rot. Bonds5

About 6-phenyl-4-(piperidin-4-ylmethoxy)-3-thiophen-2-yl-1H-quinolin-2-one

6-phenyl-4-(piperidin-4-ylmethoxy)-3-thiophen-2-yl-1H-quinolin-2-one (PubChem CID 50917040) has the molecular formula C25H24N2O2S and a molecular weight of 416.55 g/mol. Its IUPAC name is 6-phenyl-4-(piperidin-4-ylmethoxy)-3-thiophen-2-yl-1H-quinolin-2-one.

Molecular Properties

Compound Name6-phenyl-4-(piperidin-4-ylmethoxy)-3-thiophen-2-yl-1H-quinolin-2-one
PubChem CID50917040
Molecular FormulaC25H24N2O2S
Molecular Weight416.55 g/mol
Exact Mass416.16
IUPAC Name6-phenyl-4-(piperidin-4-ylmethoxy)-3-thiophen-2-yl-1H-quinolin-2-one
SMILESO=c1[nH]c2ccc(-c3ccccc3)cc2c(OCC2CCNCC2)c1-c1cccs1
InChIInChI=1S/C25H24N2O2S/c28-25-23(22-7-4-14-30-22)24(29-16-17-10-12-26-13-11-17)20-15-19(8-9-21(20)27-25)18-5-2-1-3-6-18/h1-9,14-15,17,26H,10-13,16H2,(H,27,28)
InChIKeyLAIZUIXTZHFUHV-UHFFFAOYSA-N
XLogP5.30
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.55
LogP ≤ 55.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-phenyl-4-(piperidin-4-ylmethoxy)-3-thiophen-2-yl-1H-quinolin-2-one?
The IUPAC name of 6-phenyl-4-(piperidin-4-ylmethoxy)-3-thiophen-2-yl-1H-quinolin-2-one (CID 50917040) is 6-phenyl-4-(piperidin-4-ylmethoxy)-3-thiophen-2-yl-1H-quinolin-2-one.
What is the SMILES notation for 6-phenyl-4-(piperidin-4-ylmethoxy)-3-thiophen-2-yl-1H-quinolin-2-one?
The canonical SMILES for 6-phenyl-4-(piperidin-4-ylmethoxy)-3-thiophen-2-yl-1H-quinolin-2-one is O=c1[nH]c2ccc(-c3ccccc3)cc2c(OCC2CCNCC2)c1-c1cccs1.
What is the InChIKey of 6-phenyl-4-(piperidin-4-ylmethoxy)-3-thiophen-2-yl-1H-quinolin-2-one?
The InChIKey is LAIZUIXTZHFUHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O2S/c28-25-23(22-7-4-14-30-22)24(29-16-17-10-12-26-13-11-17)20-15-19(8-9-21(20)27-25)18-5-2-1-3-6-18/h1-9,14-15,17,26H,10-13,16H2,(H,27,28).
What are the key properties of 6-phenyl-4-(piperidin-4-ylmethoxy)-3-thiophen-2-yl-1H-quinolin-2-one?
6-phenyl-4-(piperidin-4-ylmethoxy)-3-thiophen-2-yl-1H-quinolin-2-one has a molecular weight of 416.55 g/mol, XLogP of 5.30, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenyl-4-(piperidin-4-ylmethoxy)-3-thiophen-2-yl-1H-quinolin-2-one is sourced from PubChem (CID 50917040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).