4,4-dimethyl-6-[4-(oxolane-2-carbonyl)piperazin-1-yl]sulfonyl-1,3-dihydroquinolin-2-one

C20H27N3O5S — CID 91958530

IUPAC4,4-dimethyl-6-[4-(oxolane-2-carbonyl)piperazin-1-yl]sulfonyl-1,3-dihydroquinolin-2-one
SMILESCC1(C)CC(=O)Nc2ccc(S(=O)(=O)N3CCN(C(=O)C4CCCO4)CC3)cc21
InChIInChI=1S/C20H27N3O5S/c1-20(2)13-18(24)21-16-6-5-14(12-15(16)20)29(26,27)23-9-7-22(8-10-23)19(25)17-4-3-11-28-17/h5-6,12,17H,3-4,7-11,13H2,1-2H3,(H,21,24)
InChIKeyMLQOBMZQYBDFMA-UHFFFAOYSA-N
MW421.52 g/mol
LogP1.32
Rot. Bonds3

About 4,4-dimethyl-6-[4-(oxolane-2-carbonyl)piperazin-1-yl]sulfonyl-1,3-dihydroquinolin-2-one

4,4-dimethyl-6-[4-(oxolane-2-carbonyl)piperazin-1-yl]sulfonyl-1,3-dihydroquinolin-2-one (PubChem CID 91958530) has the molecular formula C20H27N3O5S and a molecular weight of 421.52 g/mol. Its IUPAC name is 4,4-dimethyl-6-[4-(oxolane-2-carbonyl)piperazin-1-yl]sulfonyl-1,3-dihydroquinolin-2-one.

Molecular Properties

Compound Name4,4-dimethyl-6-[4-(oxolane-2-carbonyl)piperazin-1-yl]sulfonyl-1,3-dihydroquinolin-2-one
PubChem CID91958530
Molecular FormulaC20H27N3O5S
Molecular Weight421.52 g/mol
Exact Mass421.17
IUPAC Name4,4-dimethyl-6-[4-(oxolane-2-carbonyl)piperazin-1-yl]sulfonyl-1,3-dihydroquinolin-2-one
SMILESCC1(C)CC(=O)Nc2ccc(S(=O)(=O)N3CCN(C(=O)C4CCCO4)CC3)cc21
InChIInChI=1S/C20H27N3O5S/c1-20(2)13-18(24)21-16-6-5-14(12-15(16)20)29(26,27)23-9-7-22(8-10-23)19(25)17-4-3-11-28-17/h5-6,12,17H,3-4,7-11,13H2,1-2H3,(H,21,24)
InChIKeyMLQOBMZQYBDFMA-UHFFFAOYSA-N
XLogP1.32
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.52
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4,4-dimethyl-6-[4-(oxolane-2-carbonyl)piperazin-1-yl]sulfonyl-1,3-dihydroquinolin-2-one with MolForge

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Related Compounds

[4-(3-methoxyphenyl)sulfonylpiperazin-1-yl]-[(2R)-oxolan-2-yl]methanone
CID 124505554
[4-(1-methylpyrrol-3-yl)sulfonylpiperazin-1-yl]-[(2S)-oxolan-2-yl]methanone
CID 51983158
[(2S)-oxolan-2-yl]-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]methanone
CID 26776175
4,4-dimethyl-6-(3-methylpiperazin-1-yl)sulfonyl-1,3-dihydroquinolin-2-one
CID 25104840
[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-[4-(oxolane-2-carbonyl)piperazin-1-yl]methanone
CID 55330043
[4-[3,5-bis(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]-(oxolan-2-yl)methanone
CID 55344290
[4-(5-chloro-2-methylphenyl)sulfonylpiperazin-1-yl]-(oxolan-2-yl)methanone
CID 47027374
oxolan-2-yl-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone
CID 2970302
[4-(4-chloro-2-fluorophenyl)sulfonylpiperazin-1-yl]-(oxolan-2-yl)methanone
CID 51169379
[4-(2-nitro-4-piperidin-1-ylsulfonylphenyl)piperazin-1-yl]-(oxolan-2-yl)methanone
CID 55346931
4-fluoro-N-methyl-N-[2-[4-(oxolane-2-carbonyl)piperazin-1-yl]sulfonylethyl]benzenesulfonamide
CID 47015287
[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-[(2R)-oxolan-2-yl]methanone
CID 9370296

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-6-[4-(oxolane-2-carbonyl)piperazin-1-yl]sulfonyl-1,3-dihydroquinolin-2-one?
The IUPAC name of 4,4-dimethyl-6-[4-(oxolane-2-carbonyl)piperazin-1-yl]sulfonyl-1,3-dihydroquinolin-2-one (CID 91958530) is 4,4-dimethyl-6-[4-(oxolane-2-carbonyl)piperazin-1-yl]sulfonyl-1,3-dihydroquinolin-2-one.
What is the SMILES notation for 4,4-dimethyl-6-[4-(oxolane-2-carbonyl)piperazin-1-yl]sulfonyl-1,3-dihydroquinolin-2-one?
The canonical SMILES for 4,4-dimethyl-6-[4-(oxolane-2-carbonyl)piperazin-1-yl]sulfonyl-1,3-dihydroquinolin-2-one is CC1(C)CC(=O)Nc2ccc(S(=O)(=O)N3CCN(C(=O)C4CCCO4)CC3)cc21.
What is the InChIKey of 4,4-dimethyl-6-[4-(oxolane-2-carbonyl)piperazin-1-yl]sulfonyl-1,3-dihydroquinolin-2-one?
The InChIKey is MLQOBMZQYBDFMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O5S/c1-20(2)13-18(24)21-16-6-5-14(12-15(16)20)29(26,27)23-9-7-22(8-10-23)19(25)17-4-3-11-28-17/h5-6,12,17H,3-4,7-11,13H2,1-2H3,(H,21,24).
What are the key properties of 4,4-dimethyl-6-[4-(oxolane-2-carbonyl)piperazin-1-yl]sulfonyl-1,3-dihydroquinolin-2-one?
4,4-dimethyl-6-[4-(oxolane-2-carbonyl)piperazin-1-yl]sulfonyl-1,3-dihydroquinolin-2-one has a molecular weight of 421.52 g/mol, XLogP of 1.32, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-6-[4-(oxolane-2-carbonyl)piperazin-1-yl]sulfonyl-1,3-dihydroquinolin-2-one is sourced from PubChem (CID 91958530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).