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

C13H18N2O3S — CID 64629940

IUPAC6-(1-methylsulfonylpropan-2-ylamino)-3,4-dihydro-1H-quinolin-2-one
SMILESCC(CS(C)(=O)=O)Nc1ccc2c(c1)CCC(=O)N2
InChIInChI=1S/C13H18N2O3S/c1-9(8-19(2,17)18)14-11-4-5-12-10(7-11)3-6-13(16)15-12/h4-5,7,9,14H,3,6,8H2,1-2H3,(H,15,16)
InChIKeyDGVFCABBLKFDGX-UHFFFAOYSA-N
MW282.37 g/mol
LogP1.42
Rot. Bonds4

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

6-(1-methylsulfonylpropan-2-ylamino)-3,4-dihydro-1H-quinolin-2-one (PubChem CID 64629940) has the molecular formula C13H18N2O3S and a molecular weight of 282.37 g/mol. Its IUPAC name is 6-(1-methylsulfonylpropan-2-ylamino)-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-(1-methylsulfonylpropan-2-ylamino)-3,4-dihydro-1H-quinolin-2-one
PubChem CID64629940
Molecular FormulaC13H18N2O3S
Molecular Weight282.37 g/mol
Exact Mass282.10
IUPAC Name6-(1-methylsulfonylpropan-2-ylamino)-3,4-dihydro-1H-quinolin-2-one
SMILESCC(CS(C)(=O)=O)Nc1ccc2c(c1)CCC(=O)N2
InChIInChI=1S/C13H18N2O3S/c1-9(8-19(2,17)18)14-11-4-5-12-10(7-11)3-6-13(16)15-12/h4-5,7,9,14H,3,6,8H2,1-2H3,(H,15,16)
InChIKeyDGVFCABBLKFDGX-UHFFFAOYSA-N
XLogP1.42
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.37
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-(3-methylbutan-2-ylamino)-3,4-dihydro-1H-quinolin-2-one
CID 43737992
6-(3-methylbutylamino)-3,4-dihydro-1H-quinolin-2-one
CID 43737958
6-[[4-(azepan-1-yl)-4-oxobutan-2-yl]amino]-3,4-dihydro-1H-quinolin-2-one
CID 75472339
6-[1-(4-hydroxyphenyl)ethylamino]-3,4-dihydro-1H-quinolin-2-one
CID 43737991
ethane;6-(methylamino)-3,4-dihydro-1H-quinolin-2-one
CID 142404052
1-bromo-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)methanesulfonamide
CID 40889588
N-[(2S)-butan-2-yl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
CID 41098440
2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)amino]-N-[4-(propan-2-ylsulfamoyl)phenyl]propanamide
CID 55629961
6-[1-(5-ethylthiophen-2-yl)ethylamino]-3,4-dihydro-1H-quinolin-2-one
CID 61335706
6-[1-(4-methyl-2-pyridinyl)ethylamino]-3,4-dihydro-1H-quinolin-2-one
CID 126801805
[1-[4-(methanesulfonamido)phenyl]-1-oxopropan-2-yl] 2-oxo-3,4-dihydro-1H-quinoline-6-carboxylate
CID 42922466
2-bromo-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)propanamide
CID 107903528

Frequently Asked Questions

What is the IUPAC name of 6-(1-methylsulfonylpropan-2-ylamino)-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6-(1-methylsulfonylpropan-2-ylamino)-3,4-dihydro-1H-quinolin-2-one (CID 64629940) is 6-(1-methylsulfonylpropan-2-ylamino)-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6-(1-methylsulfonylpropan-2-ylamino)-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6-(1-methylsulfonylpropan-2-ylamino)-3,4-dihydro-1H-quinolin-2-one is CC(CS(C)(=O)=O)Nc1ccc2c(c1)CCC(=O)N2.
What is the InChIKey of 6-(1-methylsulfonylpropan-2-ylamino)-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is DGVFCABBLKFDGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3S/c1-9(8-19(2,17)18)14-11-4-5-12-10(7-11)3-6-13(16)15-12/h4-5,7,9,14H,3,6,8H2,1-2H3,(H,15,16).
What are the key properties of 6-(1-methylsulfonylpropan-2-ylamino)-3,4-dihydro-1H-quinolin-2-one?
6-(1-methylsulfonylpropan-2-ylamino)-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 282.37 g/mol, XLogP of 1.42, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-methylsulfonylpropan-2-ylamino)-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 64629940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).