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

C20H21NO2S — CID 50916849

IUPAC4-(cyclohexylmethoxy)-3-thiophen-2-yl-1H-quinolin-2-one
SMILESO=c1[nH]c2ccccc2c(OCC2CCCCC2)c1-c1cccs1
InChIInChI=1S/C20H21NO2S/c22-20-18(17-11-6-12-24-17)19(15-9-4-5-10-16(15)21-20)23-13-14-7-2-1-3-8-14/h4-6,9-12,14H,1-3,7-8,13H2,(H,21,22)
InChIKeyFEQJNUBJXKUOSU-UHFFFAOYSA-N
MW339.46 g/mol
LogP5.22
Rot. Bonds4

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

4-(cyclohexylmethoxy)-3-thiophen-2-yl-1H-quinolin-2-one (PubChem CID 50916849) has the molecular formula C20H21NO2S and a molecular weight of 339.46 g/mol. Its IUPAC name is 4-(cyclohexylmethoxy)-3-thiophen-2-yl-1H-quinolin-2-one.

Molecular Properties

Compound Name4-(cyclohexylmethoxy)-3-thiophen-2-yl-1H-quinolin-2-one
PubChem CID50916849
Molecular FormulaC20H21NO2S
Molecular Weight339.46 g/mol
Exact Mass339.13
IUPAC Name4-(cyclohexylmethoxy)-3-thiophen-2-yl-1H-quinolin-2-one
SMILESO=c1[nH]c2ccccc2c(OCC2CCCCC2)c1-c1cccs1
InChIInChI=1S/C20H21NO2S/c22-20-18(17-11-6-12-24-17)19(15-9-4-5-10-16(15)21-20)23-13-14-7-2-1-3-8-14/h4-6,9-12,14H,1-3,7-8,13H2,(H,21,22)
InChIKeyFEQJNUBJXKUOSU-UHFFFAOYSA-N
XLogP5.22
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.46
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(cyclohexylmethoxy)-3-thiophen-2-yl-1H-quinolin-2-one?
The IUPAC name of 4-(cyclohexylmethoxy)-3-thiophen-2-yl-1H-quinolin-2-one (CID 50916849) is 4-(cyclohexylmethoxy)-3-thiophen-2-yl-1H-quinolin-2-one.
What is the SMILES notation for 4-(cyclohexylmethoxy)-3-thiophen-2-yl-1H-quinolin-2-one?
The canonical SMILES for 4-(cyclohexylmethoxy)-3-thiophen-2-yl-1H-quinolin-2-one is O=c1[nH]c2ccccc2c(OCC2CCCCC2)c1-c1cccs1.
What is the InChIKey of 4-(cyclohexylmethoxy)-3-thiophen-2-yl-1H-quinolin-2-one?
The InChIKey is FEQJNUBJXKUOSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO2S/c22-20-18(17-11-6-12-24-17)19(15-9-4-5-10-16(15)21-20)23-13-14-7-2-1-3-8-14/h4-6,9-12,14H,1-3,7-8,13H2,(H,21,22).
What are the key properties of 4-(cyclohexylmethoxy)-3-thiophen-2-yl-1H-quinolin-2-one?
4-(cyclohexylmethoxy)-3-thiophen-2-yl-1H-quinolin-2-one has a molecular weight of 339.46 g/mol, XLogP of 5.22, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclohexylmethoxy)-3-thiophen-2-yl-1H-quinolin-2-one is sourced from PubChem (CID 50916849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).