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

C17H23N3O4S — CID 110804837

IUPAC6-(4-propylsulfonylpiperazine-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one
SMILESCCCS(=O)(=O)N1CCN(C(=O)c2ccc3c(c2)CCC(=O)N3)CC1
InChIInChI=1S/C17H23N3O4S/c1-2-11-25(23,24)20-9-7-19(8-10-20)17(22)14-3-5-15-13(12-14)4-6-16(21)18-15/h3,5,12H,2,4,6-11H2,1H3,(H,18,21)
InChIKeyMADXKOXCNBYKOC-UHFFFAOYSA-N
MW365.46 g/mol
LogP1.07
Rot. Bonds4

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

6-(4-propylsulfonylpiperazine-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one (PubChem CID 110804837) has the molecular formula C17H23N3O4S and a molecular weight of 365.46 g/mol. Its IUPAC name is 6-(4-propylsulfonylpiperazine-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-(4-propylsulfonylpiperazine-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one
PubChem CID110804837
Molecular FormulaC17H23N3O4S
Molecular Weight365.46 g/mol
Exact Mass365.14
IUPAC Name6-(4-propylsulfonylpiperazine-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one
SMILESCCCS(=O)(=O)N1CCN(C(=O)c2ccc3c(c2)CCC(=O)N3)CC1
InChIInChI=1S/C17H23N3O4S/c1-2-11-25(23,24)20-9-7-19(8-10-20)17(22)14-3-5-15-13(12-14)4-6-16(21)18-15/h3,5,12H,2,4,6-11H2,1H3,(H,18,21)
InChIKeyMADXKOXCNBYKOC-UHFFFAOYSA-N
XLogP1.07
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.46
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(4-butanoylpiperazine-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one
CID 110800015
5-(4-ethylsulfonyl-1,4-diazepane-1-carbonyl)-1,3-dihydroindol-2-one
CID 110810080
6-(4-hexylpiperazine-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one
CID 13195369
6-[4-(2-hydroxyethyl)piperazine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one
CID 13369772
4-(2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)-N-propyl-1,4-diazepane-1-carboxamide
CID 110813513
6-(3,5-dimethylpiperidine-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one
CID 86911989
6-[4-(3-bromophenyl)sulfonylpiperazine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one
CID 31239886
6-[4-(1H-pyrrole-2-carbonyl)piperazine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one
CID 110815253
6-[4-(3-methoxybenzoyl)piperazine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one
CID 38047191
2,3-dihydro-1-benzofuran-5-yl-(4-propylsulfonyl-1,4-diazepan-1-yl)methanone
CID 110810264
6-[4-[(4-propan-2-ylphenyl)methyl]piperazine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one
CID 31281845
(4-chlorophenyl)-(4-propylsulfonylpiperazin-1-yl)methanone
CID 777474

Frequently Asked Questions

What is the IUPAC name of 6-(4-propylsulfonylpiperazine-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6-(4-propylsulfonylpiperazine-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one (CID 110804837) is 6-(4-propylsulfonylpiperazine-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6-(4-propylsulfonylpiperazine-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6-(4-propylsulfonylpiperazine-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one is CCCS(=O)(=O)N1CCN(C(=O)c2ccc3c(c2)CCC(=O)N3)CC1.
What is the InChIKey of 6-(4-propylsulfonylpiperazine-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is MADXKOXCNBYKOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O4S/c1-2-11-25(23,24)20-9-7-19(8-10-20)17(22)14-3-5-15-13(12-14)4-6-16(21)18-15/h3,5,12H,2,4,6-11H2,1H3,(H,18,21).
What are the key properties of 6-(4-propylsulfonylpiperazine-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one?
6-(4-propylsulfonylpiperazine-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 365.46 g/mol, XLogP of 1.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-propylsulfonylpiperazine-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 110804837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).