6,8-dimethyl-3-[[(3S)-3-(methylsulfonylmethyl)piperidin-1-yl]methyl]-1H-quinolin-2-one

C19H26N2O3S — CID 99931813

IUPAC6,8-dimethyl-3-[[(3S)-3-(methylsulfonylmethyl)piperidin-1-yl]methyl]-1H-quinolin-2-one
SMILESCc1cc(C)c2[nH]c(=O)c(CN3CCC[C@H](CS(C)(=O)=O)C3)cc2c1
InChIInChI=1S/C19H26N2O3S/c1-13-7-14(2)18-16(8-13)9-17(19(22)20-18)11-21-6-4-5-15(10-21)12-25(3,23)24/h7-9,15H,4-6,10-12H2,1-3H3,(H,20,22)/t15-/m0/s1
InChIKeyRZOKXLUMLLJESZ-HNNXBMFYSA-N
MW362.50 g/mol
LogP2.40
Rot. Bonds4

About 6,8-dimethyl-3-[[(3S)-3-(methylsulfonylmethyl)piperidin-1-yl]methyl]-1H-quinolin-2-one

6,8-dimethyl-3-[[(3S)-3-(methylsulfonylmethyl)piperidin-1-yl]methyl]-1H-quinolin-2-one (PubChem CID 99931813) has the molecular formula C19H26N2O3S and a molecular weight of 362.50 g/mol. Its IUPAC name is 6,8-dimethyl-3-[[(3S)-3-(methylsulfonylmethyl)piperidin-1-yl]methyl]-1H-quinolin-2-one.

Molecular Properties

Compound Name6,8-dimethyl-3-[[(3S)-3-(methylsulfonylmethyl)piperidin-1-yl]methyl]-1H-quinolin-2-one
PubChem CID99931813
Molecular FormulaC19H26N2O3S
Molecular Weight362.50 g/mol
Exact Mass362.17
IUPAC Name6,8-dimethyl-3-[[(3S)-3-(methylsulfonylmethyl)piperidin-1-yl]methyl]-1H-quinolin-2-one
SMILESCc1cc(C)c2[nH]c(=O)c(CN3CCC[C@H](CS(C)(=O)=O)C3)cc2c1
InChIInChI=1S/C19H26N2O3S/c1-13-7-14(2)18-16(8-13)9-17(19(22)20-18)11-21-6-4-5-15(10-21)12-25(3,23)24/h7-9,15H,4-6,10-12H2,1-3H3,(H,20,22)/t15-/m0/s1
InChIKeyRZOKXLUMLLJESZ-HNNXBMFYSA-N
XLogP2.40
TPSA70.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.50
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6,8-dimethyl-3-[[(3S)-3-(methylsulfonylmethyl)piperidin-1-yl]methyl]-1H-quinolin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[[(4S)-4-(dimethylamino)azepan-1-yl]methyl]-6,8-dimethyl-1H-quinolin-2-one
CID 95711780
3-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-6,8-dimethyl-1H-quinolin-2-one
CID 56717632
3-[[(3S,8aS)-3-methyl-4-oxo-1,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-2-yl]methyl]-6,8-dimethyl-1H-quinolin-2-one
CID 137336127
(5R)-9-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one
CID 95880781
formic acid;3-[[2-(1-hydroxycyclopropyl)pyrrolidin-1-yl]methyl]-6,8-dimethyl-1H-quinolin-2-one
CID 154920378
6,8-dimethyl-3-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]-1H-quinolin-2-one
CID 110331580
4-[[(3S)-3-(methylsulfonylmethyl)piperidin-1-yl]methyl]-1H-pyrazole-5-carboxylic acid
CID 99938873
N-[[1-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]piperidin-3-yl]methyl]acetamide
CID 56709700
6,8-dimethyl-3-[[4-(2-phenoxyethyl)piperazin-1-yl]methyl]-1H-quinolin-2-one
CID 131931591
3-(aminomethyl)-6,8-dimethyl-1H-quinolin-2-one
CID 6487599
2-methyl-3-[[(3R)-3-(methylsulfonylmethyl)piperidin-1-yl]methyl]imidazo[1,2-a]pyridine
CID 99940385
N-cyclopentyl-N-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]acetamide
CID 856997

Frequently Asked Questions

What is the IUPAC name of 6,8-dimethyl-3-[[(3S)-3-(methylsulfonylmethyl)piperidin-1-yl]methyl]-1H-quinolin-2-one?
The IUPAC name of 6,8-dimethyl-3-[[(3S)-3-(methylsulfonylmethyl)piperidin-1-yl]methyl]-1H-quinolin-2-one (CID 99931813) is 6,8-dimethyl-3-[[(3S)-3-(methylsulfonylmethyl)piperidin-1-yl]methyl]-1H-quinolin-2-one.
What is the SMILES notation for 6,8-dimethyl-3-[[(3S)-3-(methylsulfonylmethyl)piperidin-1-yl]methyl]-1H-quinolin-2-one?
The canonical SMILES for 6,8-dimethyl-3-[[(3S)-3-(methylsulfonylmethyl)piperidin-1-yl]methyl]-1H-quinolin-2-one is Cc1cc(C)c2[nH]c(=O)c(CN3CCC[C@H](CS(C)(=O)=O)C3)cc2c1.
What is the InChIKey of 6,8-dimethyl-3-[[(3S)-3-(methylsulfonylmethyl)piperidin-1-yl]methyl]-1H-quinolin-2-one?
The InChIKey is RZOKXLUMLLJESZ-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H26N2O3S/c1-13-7-14(2)18-16(8-13)9-17(19(22)20-18)11-21-6-4-5-15(10-21)12-25(3,23)24/h7-9,15H,4-6,10-12H2,1-3H3,(H,20,22)/t15-/m0/s1.
What are the key properties of 6,8-dimethyl-3-[[(3S)-3-(methylsulfonylmethyl)piperidin-1-yl]methyl]-1H-quinolin-2-one?
6,8-dimethyl-3-[[(3S)-3-(methylsulfonylmethyl)piperidin-1-yl]methyl]-1H-quinolin-2-one has a molecular weight of 362.50 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dimethyl-3-[[(3S)-3-(methylsulfonylmethyl)piperidin-1-yl]methyl]-1H-quinolin-2-one is sourced from PubChem (CID 99931813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).