5-methylsulfanyl-1-propan-2-yl-3,4-dihydroquinolin-2-one

C13H17NOS — CID 135200247

IUPAC5-methylsulfanyl-1-propan-2-yl-3,4-dihydroquinolin-2-one
SMILESCSc1cccc2c1CCC(=O)N2C(C)C
InChIInChI=1S/C13H17NOS/c1-9(2)14-11-5-4-6-12(16-3)10(11)7-8-13(14)15/h4-6,9H,7-8H2,1-3H3
InChIKeyNNKMJBWRSAKUSK-UHFFFAOYSA-N
MW235.35 g/mol
LogP3.10
Rot. Bonds2

About 5-methylsulfanyl-1-propan-2-yl-3,4-dihydroquinolin-2-one

5-methylsulfanyl-1-propan-2-yl-3,4-dihydroquinolin-2-one (PubChem CID 135200247) has the molecular formula C13H17NOS and a molecular weight of 235.35 g/mol. Its IUPAC name is 5-methylsulfanyl-1-propan-2-yl-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name5-methylsulfanyl-1-propan-2-yl-3,4-dihydroquinolin-2-one
PubChem CID135200247
Molecular FormulaC13H17NOS
Molecular Weight235.35 g/mol
Exact Mass235.10
IUPAC Name5-methylsulfanyl-1-propan-2-yl-3,4-dihydroquinolin-2-one
SMILESCSc1cccc2c1CCC(=O)N2C(C)C
InChIInChI=1S/C13H17NOS/c1-9(2)14-11-5-4-6-12(16-3)10(11)7-8-13(14)15/h4-6,9H,7-8H2,1-3H3
InChIKeyNNKMJBWRSAKUSK-UHFFFAOYSA-N
XLogP3.10
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.35
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methylsulfanyl-1-propan-2-yl-3,4-dihydroquinolin-2-one?
The IUPAC name of 5-methylsulfanyl-1-propan-2-yl-3,4-dihydroquinolin-2-one (CID 135200247) is 5-methylsulfanyl-1-propan-2-yl-3,4-dihydroquinolin-2-one.
What is the SMILES notation for 5-methylsulfanyl-1-propan-2-yl-3,4-dihydroquinolin-2-one?
The canonical SMILES for 5-methylsulfanyl-1-propan-2-yl-3,4-dihydroquinolin-2-one is CSc1cccc2c1CCC(=O)N2C(C)C.
What is the InChIKey of 5-methylsulfanyl-1-propan-2-yl-3,4-dihydroquinolin-2-one?
The InChIKey is NNKMJBWRSAKUSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NOS/c1-9(2)14-11-5-4-6-12(16-3)10(11)7-8-13(14)15/h4-6,9H,7-8H2,1-3H3.
What are the key properties of 5-methylsulfanyl-1-propan-2-yl-3,4-dihydroquinolin-2-one?
5-methylsulfanyl-1-propan-2-yl-3,4-dihydroquinolin-2-one has a molecular weight of 235.35 g/mol, XLogP of 3.10, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylsulfanyl-1-propan-2-yl-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 135200247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).