6-(3-aminopropylsulfonyl)-3,4-dihydro-1H-quinolin-2-one

C12H16N2O3S — CID 116853259

IUPAC6-(3-aminopropylsulfonyl)-3,4-dihydro-1H-quinolin-2-one
SMILESNCCCS(=O)(=O)c1ccc2c(c1)CCC(=O)N2
InChIInChI=1S/C12H16N2O3S/c13-6-1-7-18(16,17)10-3-4-11-9(8-10)2-5-12(15)14-11/h3-4,8H,1-2,5-7,13H2,(H,14,15)
InChIKeyMYNLFZOQWCGDLE-UHFFFAOYSA-N
MW268.34 g/mol
LogP0.69
Rot. Bonds4

About 6-(3-aminopropylsulfonyl)-3,4-dihydro-1H-quinolin-2-one

6-(3-aminopropylsulfonyl)-3,4-dihydro-1H-quinolin-2-one (PubChem CID 116853259) has the molecular formula C12H16N2O3S and a molecular weight of 268.34 g/mol. Its IUPAC name is 6-(3-aminopropylsulfonyl)-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-(3-aminopropylsulfonyl)-3,4-dihydro-1H-quinolin-2-one
PubChem CID116853259
Molecular FormulaC12H16N2O3S
Molecular Weight268.34 g/mol
Exact Mass268.09
IUPAC Name6-(3-aminopropylsulfonyl)-3,4-dihydro-1H-quinolin-2-one
SMILESNCCCS(=O)(=O)c1ccc2c(c1)CCC(=O)N2
InChIInChI=1S/C12H16N2O3S/c13-6-1-7-18(16,17)10-3-4-11-9(8-10)2-5-12(15)14-11/h3-4,8H,1-2,5-7,13H2,(H,14,15)
InChIKeyMYNLFZOQWCGDLE-UHFFFAOYSA-N
XLogP0.69
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.34
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-[4-(4-tert-butylphenyl)sulfonylbutoxy]-3,4-dihydro-1H-quinolin-2-one
CID 70558157
N-(3-aminopropyl)-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide;hydrochloride
CID 119962110
6-[3-aminopropyl(methyl)amino]-3,4-dihydro-1H-quinolin-2-one
CID 82496165
6-[[4-aminobutyl(methyl)amino]methyl]-3,4-dihydro-1H-quinolin-2-one
CID 115201298
N-(2-hydroxyethyl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
CID 96667560
6-[2-aminoethyl(methyl)amino]-3,4-dihydro-1H-quinolin-2-one
CID 82493883
N-(4-chlorophenyl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
CID 3647907
N-[(2S)-butan-2-yl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
CID 41098440
N-(3-aminopropyl)-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 28754114
4-[2-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)sulfonyl]ethyl]benzoic acid
CID 160666899
6-chloro-3,4-dihydro-1H-quinolin-2-one
CID 11240825
N-(2-fluorophenyl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
CID 7601955

Frequently Asked Questions

What is the IUPAC name of 6-(3-aminopropylsulfonyl)-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6-(3-aminopropylsulfonyl)-3,4-dihydro-1H-quinolin-2-one (CID 116853259) is 6-(3-aminopropylsulfonyl)-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6-(3-aminopropylsulfonyl)-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6-(3-aminopropylsulfonyl)-3,4-dihydro-1H-quinolin-2-one is NCCCS(=O)(=O)c1ccc2c(c1)CCC(=O)N2.
What is the InChIKey of 6-(3-aminopropylsulfonyl)-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is MYNLFZOQWCGDLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3S/c13-6-1-7-18(16,17)10-3-4-11-9(8-10)2-5-12(15)14-11/h3-4,8H,1-2,5-7,13H2,(H,14,15).
What are the key properties of 6-(3-aminopropylsulfonyl)-3,4-dihydro-1H-quinolin-2-one?
6-(3-aminopropylsulfonyl)-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 268.34 g/mol, XLogP of 0.69, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-aminopropylsulfonyl)-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 116853259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).