1-(3-ethylsulfanylpropyl)-3,4-dihydroquinolin-2-one

C14H19NOS — CID 104863706

IUPAC1-(3-ethylsulfanylpropyl)-3,4-dihydroquinolin-2-one
SMILESCCSCCCN1C(=O)CCc2ccccc21
InChIInChI=1S/C14H19NOS/c1-2-17-11-5-10-15-13-7-4-3-6-12(13)8-9-14(15)16/h3-4,6-7H,2,5,8-11H2,1H3
InChIKeyIUWDFHBATKCMPE-UHFFFAOYSA-N
MW249.38 g/mol
LogP3.11
Rot. Bonds5

About 1-(3-ethylsulfanylpropyl)-3,4-dihydroquinolin-2-one

1-(3-ethylsulfanylpropyl)-3,4-dihydroquinolin-2-one (PubChem CID 104863706) has the molecular formula C14H19NOS and a molecular weight of 249.38 g/mol. Its IUPAC name is 1-(3-ethylsulfanylpropyl)-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name1-(3-ethylsulfanylpropyl)-3,4-dihydroquinolin-2-one
PubChem CID104863706
Molecular FormulaC14H19NOS
Molecular Weight249.38 g/mol
Exact Mass249.12
IUPAC Name1-(3-ethylsulfanylpropyl)-3,4-dihydroquinolin-2-one
SMILESCCSCCCN1C(=O)CCc2ccccc21
InChIInChI=1S/C14H19NOS/c1-2-17-11-5-10-15-13-7-4-3-6-12(13)8-9-14(15)16/h3-4,6-7H,2,5,8-11H2,1H3
InChIKeyIUWDFHBATKCMPE-UHFFFAOYSA-N
XLogP3.11
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.38
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(3-ethylsulfanylpropyl)-3,4-dihydroquinolin-2-one?
The IUPAC name of 1-(3-ethylsulfanylpropyl)-3,4-dihydroquinolin-2-one (CID 104863706) is 1-(3-ethylsulfanylpropyl)-3,4-dihydroquinolin-2-one.
What is the SMILES notation for 1-(3-ethylsulfanylpropyl)-3,4-dihydroquinolin-2-one?
The canonical SMILES for 1-(3-ethylsulfanylpropyl)-3,4-dihydroquinolin-2-one is CCSCCCN1C(=O)CCc2ccccc21.
What is the InChIKey of 1-(3-ethylsulfanylpropyl)-3,4-dihydroquinolin-2-one?
The InChIKey is IUWDFHBATKCMPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NOS/c1-2-17-11-5-10-15-13-7-4-3-6-12(13)8-9-14(15)16/h3-4,6-7H,2,5,8-11H2,1H3.
What are the key properties of 1-(3-ethylsulfanylpropyl)-3,4-dihydroquinolin-2-one?
1-(3-ethylsulfanylpropyl)-3,4-dihydroquinolin-2-one has a molecular weight of 249.38 g/mol, XLogP of 3.11, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethylsulfanylpropyl)-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 104863706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).