3-cyclohexylsulfinyl-4-hydroxy-1-methylquinolin-2-one

C16H19NO3S — CID 54694332

IUPAC3-cyclohexylsulfinyl-4-hydroxy-1-methylquinolin-2-one
SMILESCn1c(=O)c(S(=O)C2CCCCC2)c(O)c2ccccc21
InChIInChI=1S/C16H19NO3S/c1-17-13-10-6-5-9-12(13)14(18)15(16(17)19)21(20)11-7-3-2-4-8-11/h5-6,9-11,18H,2-4,7-8H2,1H3
InChIKeyHPBONSLETWERSP-UHFFFAOYSA-N
MW305.40 g/mol
LogP2.68
Rot. Bonds2

About 3-cyclohexylsulfinyl-4-hydroxy-1-methylquinolin-2-one

3-cyclohexylsulfinyl-4-hydroxy-1-methylquinolin-2-one (PubChem CID 54694332) has the molecular formula C16H19NO3S and a molecular weight of 305.40 g/mol. Its IUPAC name is 3-cyclohexylsulfinyl-4-hydroxy-1-methylquinolin-2-one.

Molecular Properties

Compound Name3-cyclohexylsulfinyl-4-hydroxy-1-methylquinolin-2-one
PubChem CID54694332
Molecular FormulaC16H19NO3S
Molecular Weight305.40 g/mol
Exact Mass305.11
IUPAC Name3-cyclohexylsulfinyl-4-hydroxy-1-methylquinolin-2-one
SMILESCn1c(=O)c(S(=O)C2CCCCC2)c(O)c2ccccc21
InChIInChI=1S/C16H19NO3S/c1-17-13-10-6-5-9-12(13)14(18)15(16(17)19)21(20)11-7-3-2-4-8-11/h5-6,9-11,18H,2-4,7-8H2,1H3
InChIKeyHPBONSLETWERSP-UHFFFAOYSA-N
XLogP2.68
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Roquinimex
CID 54676478
4-Hydroxy-N-methylcarbostyril
CID 54686436
Zanthobisquinolone
CID 54688597
1-Benzyl-4-hydroxyquinolin-2(1H)-one
CID 54680863
1-Butyl-4-hydroxy-2-quinolone
CID 54676155
1-Ethyl-4-hydroxyquinolin-2(1H)-one
CID 54684641
3-Benzyl-4-hydroxy-1-methylquinolin-2(1H)-one
CID 54705756
1,3-Dimethyl-4-hydroxy-2-quinolone
CID 54683989
3,4-Dihydroxy-1-methylquinolin-2(1H)-one
CID 54695768
3-acetyl-1-cyclohexyl-4-hydroxy-2(1H)-quinolinone
CID 54679413
4-hydroxy-1-methyl-2,2-dioxo-N-phenyl-1,2-dihydro-2lambda~6~,1-benzothiazine-3-carboxamide
CID 54685821
3-acetyl-1-benzyl-4-hydroxy-2(1H)-quinolinone
CID 54683807

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexylsulfinyl-4-hydroxy-1-methylquinolin-2-one?
The IUPAC name of 3-cyclohexylsulfinyl-4-hydroxy-1-methylquinolin-2-one (CID 54694332) is 3-cyclohexylsulfinyl-4-hydroxy-1-methylquinolin-2-one.
What is the SMILES notation for 3-cyclohexylsulfinyl-4-hydroxy-1-methylquinolin-2-one?
The canonical SMILES for 3-cyclohexylsulfinyl-4-hydroxy-1-methylquinolin-2-one is Cn1c(=O)c(S(=O)C2CCCCC2)c(O)c2ccccc21.
What is the InChIKey of 3-cyclohexylsulfinyl-4-hydroxy-1-methylquinolin-2-one?
The InChIKey is HPBONSLETWERSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3S/c1-17-13-10-6-5-9-12(13)14(18)15(16(17)19)21(20)11-7-3-2-4-8-11/h5-6,9-11,18H,2-4,7-8H2,1H3.
What are the key properties of 3-cyclohexylsulfinyl-4-hydroxy-1-methylquinolin-2-one?
3-cyclohexylsulfinyl-4-hydroxy-1-methylquinolin-2-one has a molecular weight of 305.40 g/mol, XLogP of 2.68, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexylsulfinyl-4-hydroxy-1-methylquinolin-2-one is sourced from PubChem (CID 54694332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).