6-chloro-4-cyclohexylsulfinyl-3-propyl-1H-quinolin-2-one

C18H22ClNO2S — CID 3013152

IUPAC6-chloro-4-cyclohexylsulfinyl-3-propyl-1H-quinolin-2-one
SMILESCCCc1c(S(=O)C2CCCCC2)c2cc(Cl)ccc2[nH]c1=O
InChIInChI=1S/C18H22ClNO2S/c1-2-6-14-17(23(22)13-7-4-3-5-8-13)15-11-12(19)9-10-16(15)20-18(14)21/h9-11,13H,2-8H2,1H3,(H,20,21)
InChIKeyQRBUGQMJMFAHKS-UHFFFAOYSA-N
MW351.90 g/mol
LogP4.57
Rot. Bonds4

About 6-chloro-4-cyclohexylsulfinyl-3-propyl-1H-quinolin-2-one

6-chloro-4-cyclohexylsulfinyl-3-propyl-1H-quinolin-2-one (PubChem CID 3013152) has the molecular formula C18H22ClNO2S and a molecular weight of 351.90 g/mol. Its IUPAC name is 6-chloro-4-cyclohexylsulfinyl-3-propyl-1H-quinolin-2-one.

Molecular Properties

Compound Name6-chloro-4-cyclohexylsulfinyl-3-propyl-1H-quinolin-2-one
PubChem CID3013152
Molecular FormulaC18H22ClNO2S
Molecular Weight351.90 g/mol
Exact Mass351.11
IUPAC Name6-chloro-4-cyclohexylsulfinyl-3-propyl-1H-quinolin-2-one
SMILESCCCc1c(S(=O)C2CCCCC2)c2cc(Cl)ccc2[nH]c1=O
InChIInChI=1S/C18H22ClNO2S/c1-2-6-14-17(23(22)13-7-4-3-5-8-13)15-11-12(19)9-10-16(15)20-18(14)21/h9-11,13H,2-8H2,1H3,(H,20,21)
InChIKeyQRBUGQMJMFAHKS-UHFFFAOYSA-N
XLogP4.57
TPSA49.93 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.90
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-Chloro-4-(cyclohexylsulfanyl)-3-propylquinolin-2(1H)-one
CID 448727
Methyl [(6-chloro-2-oxo-4-phenyl-1,2-dihydroquinolin-3-yl)thio]acetate
CID 1312005
6-Chloro-4-[(R)-cyclohexylsulfinyl]-3-propyl-2(1H)-quinolinone
CID 9600414
2-[(6-chloro-2-oxo-4-phenyl-1H-quinolin-3-yl)sulfanyl]acetic acid
CID 748047
2-[(6-chloro-2-oxo-4-phenyl-1H-quinolin-3-yl)sulfanyl]-N-cyclopentylacetamide
CID 1214278
2-[(6-Chloro-2-oxo-4-phenyl-1,2-dihydroquinolin-3-yl)thio]ethyl acetate
CID 1624603
2-[(6-Chloro-1-methyl-2-oxo-1,2-dihydroquinolin-4-YL)sulfanyl]-N-[2-(cyclohex-1-EN-1-YL)ethyl]acetamide
CID 12005028
N-[(4-Chlorophenyl)methyl]-2-[(1-ethyl-2-oxo-1,2-dihydroquinolin-4-YL)sulfanyl]acetamide
CID 16034492
Benzanilide, 4'-chloro-4-(isopropylsulfonyl)-
CID 205663
6-Chloro-4-(cyclohexylsulfinyl)-3-propylquinolin-2(1H)-one
CID 46937101
N-[2-(4-Chlorophenyl)ethyl]-2-[(1-ethyl-2-oxo-1,2-dihydroquinolin-4-YL)sulfanyl]acetamide
CID 16008582
Ethyl [(6-chloro-2-oxo-4-phenyl-1,2-dihydro-3-quinolinyl)thio]acetate
CID 1289826

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-cyclohexylsulfinyl-3-propyl-1H-quinolin-2-one?
The IUPAC name of 6-chloro-4-cyclohexylsulfinyl-3-propyl-1H-quinolin-2-one (CID 3013152) is 6-chloro-4-cyclohexylsulfinyl-3-propyl-1H-quinolin-2-one.
What is the SMILES notation for 6-chloro-4-cyclohexylsulfinyl-3-propyl-1H-quinolin-2-one?
The canonical SMILES for 6-chloro-4-cyclohexylsulfinyl-3-propyl-1H-quinolin-2-one is CCCc1c(S(=O)C2CCCCC2)c2cc(Cl)ccc2[nH]c1=O.
What is the InChIKey of 6-chloro-4-cyclohexylsulfinyl-3-propyl-1H-quinolin-2-one?
The InChIKey is QRBUGQMJMFAHKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClNO2S/c1-2-6-14-17(23(22)13-7-4-3-5-8-13)15-11-12(19)9-10-16(15)20-18(14)21/h9-11,13H,2-8H2,1H3,(H,20,21).
What are the key properties of 6-chloro-4-cyclohexylsulfinyl-3-propyl-1H-quinolin-2-one?
6-chloro-4-cyclohexylsulfinyl-3-propyl-1H-quinolin-2-one has a molecular weight of 351.90 g/mol, XLogP of 4.57, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-cyclohexylsulfinyl-3-propyl-1H-quinolin-2-one is sourced from PubChem (CID 3013152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).