3-propylsulfinyl-1H-quinolin-4-one

C12H13NO2S — CID 10857416

IUPAC3-propylsulfinyl-1H-quinolin-4-one
SMILESCCCS(=O)c1c[nH]c2ccccc2c1=O
InChIInChI=1S/C12H13NO2S/c1-2-7-16(15)11-8-13-10-6-4-3-5-9(10)12(11)14/h3-6,8H,2,7H2,1H3,(H,13,14)
InChIKeyQWZFGKYDVUBCJG-UHFFFAOYSA-N
MW235.31 g/mol
LogP2.05
Rot. Bonds3

About 3-propylsulfinyl-1H-quinolin-4-one

3-propylsulfinyl-1H-quinolin-4-one (PubChem CID 10857416) has the molecular formula C12H13NO2S and a molecular weight of 235.31 g/mol. Its IUPAC name is 3-propylsulfinyl-1H-quinolin-4-one.

Molecular Properties

Compound Name3-propylsulfinyl-1H-quinolin-4-one
PubChem CID10857416
Molecular FormulaC12H13NO2S
Molecular Weight235.31 g/mol
Exact Mass235.07
IUPAC Name3-propylsulfinyl-1H-quinolin-4-one
SMILESCCCS(=O)c1c[nH]c2ccccc2c1=O
InChIInChI=1S/C12H13NO2S/c1-2-7-16(15)11-8-13-10-6-4-3-5-9(10)12(11)14/h3-6,8H,2,7H2,1H3,(H,13,14)
InChIKeyQWZFGKYDVUBCJG-UHFFFAOYSA-N
XLogP2.05
TPSA49.93 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.31
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-ethyl-1H-quinolin-4-one
CID 10374897
1-methyl-3-propylsulfinylquinolin-4-one
CID 13470369
3-(methylamino)-1H-quinolin-4-one
CID 119084506
3-[1,1-bis(1H-indol-3-yl)butyl]-1H-indole
CID 20847832
3-ethyl-1H-indole;methanamine
CID 142222050
N-(1H-indol-3-ylmethyl)-N-methylpropan-1-amine
CID 142231865
butyl 4-oxo-1H-quinoline-3-carboxylate
CID 11630136
N-ethyl-4-oxo-1H-quinoline-3-carbohydrazide
CID 121014787
3-(4-methylphenyl)-1H-quinolin-4-one
CID 15930283
3-(bromomethoxy)-1H-quinolin-4-one
CID 156738403
N-(2-ethylhexyl)-4-oxo-1H-quinoline-3-carboxamide
CID 86983437
3-[[3-(ethylamino)propylamino]methyl]-1H-quinolin-4-one;trihydrochloride
CID 121230686

Frequently Asked Questions

What is the IUPAC name of 3-propylsulfinyl-1H-quinolin-4-one?
The IUPAC name of 3-propylsulfinyl-1H-quinolin-4-one (CID 10857416) is 3-propylsulfinyl-1H-quinolin-4-one.
What is the SMILES notation for 3-propylsulfinyl-1H-quinolin-4-one?
The canonical SMILES for 3-propylsulfinyl-1H-quinolin-4-one is CCCS(=O)c1c[nH]c2ccccc2c1=O.
What is the InChIKey of 3-propylsulfinyl-1H-quinolin-4-one?
The InChIKey is QWZFGKYDVUBCJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO2S/c1-2-7-16(15)11-8-13-10-6-4-3-5-9(10)12(11)14/h3-6,8H,2,7H2,1H3,(H,13,14).
What are the key properties of 3-propylsulfinyl-1H-quinolin-4-one?
3-propylsulfinyl-1H-quinolin-4-one has a molecular weight of 235.31 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propylsulfinyl-1H-quinolin-4-one is sourced from PubChem (CID 10857416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).