6-methyl-2-[2-[(3R)-3-methylpiperidin-1-yl]-2-oxoethyl]sulfanylquinoline-3-carbonitrile

C19H21N3OS — CID 865633

IUPAC6-methyl-2-[2-[(3R)-3-methylpiperidin-1-yl]-2-oxoethyl]sulfanylquinoline-3-carbonitrile
SMILESCc1ccc2nc(SCC(=O)N3CCC[C@@H](C)C3)c(C#N)cc2c1
InChIInChI=1S/C19H21N3OS/c1-13-5-6-17-15(8-13)9-16(10-20)19(21-17)24-12-18(23)22-7-3-4-14(2)11-22/h5-6,8-9,14H,3-4,7,11-12H2,1-2H3/t14-/m1/s1
InChIKeyYESGCRIHYOOEET-CQSZACIVSA-N
MW339.46 g/mol
LogP3.77
Rot. Bonds3

About 6-methyl-2-[2-[(3R)-3-methylpiperidin-1-yl]-2-oxoethyl]sulfanylquinoline-3-carbonitrile

6-methyl-2-[2-[(3R)-3-methylpiperidin-1-yl]-2-oxoethyl]sulfanylquinoline-3-carbonitrile (PubChem CID 865633) has the molecular formula C19H21N3OS and a molecular weight of 339.46 g/mol. Its IUPAC name is 6-methyl-2-[2-[(3R)-3-methylpiperidin-1-yl]-2-oxoethyl]sulfanylquinoline-3-carbonitrile.

Molecular Properties

Compound Name6-methyl-2-[2-[(3R)-3-methylpiperidin-1-yl]-2-oxoethyl]sulfanylquinoline-3-carbonitrile
PubChem CID865633
Molecular FormulaC19H21N3OS
Molecular Weight339.46 g/mol
Exact Mass339.14
IUPAC Name6-methyl-2-[2-[(3R)-3-methylpiperidin-1-yl]-2-oxoethyl]sulfanylquinoline-3-carbonitrile
SMILESCc1ccc2nc(SCC(=O)N3CCC[C@@H](C)C3)c(C#N)cc2c1
InChIInChI=1S/C19H21N3OS/c1-13-5-6-17-15(8-13)9-16(10-20)19(21-17)24-12-18(23)22-7-3-4-14(2)11-22/h5-6,8-9,14H,3-4,7,11-12H2,1-2H3/t14-/m1/s1
InChIKeyYESGCRIHYOOEET-CQSZACIVSA-N
XLogP3.77
TPSA56.99 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.46
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 6-methyl-2-[2-[(3R)-3-methylpiperidin-1-yl]-2-oxoethyl]sulfanylquinoline-3-carbonitrile 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

5,8-dimethyl-2-[2-[(3R)-3-methylpiperidin-1-yl]-2-oxoethyl]sulfanylquinoline-3-carbonitrile
CID 1450176
2-(3,7-dimethylquinolin-2-yl)sulfanyl-1-(3-methylpiperidin-1-yl)ethanone
CID 3189723
7-methyl-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylquinoline-3-carbonitrile
CID 865691
6-methyl-2-(2-oxopropylsulfanyl)quinoline-3-carbonitrile
CID 865643
2-(3-ethyl-7-methylquinolin-2-yl)sulfanyl-1-(3-methylpiperidin-1-yl)ethanone
CID 3206706
2-(3-cyano-6-methylquinolin-2-yl)sulfanyl-N-cyclohexylacetamide
CID 865629
N-butan-2-yl-2-(3-cyano-6-methylquinolin-2-yl)sulfanylacetamide
CID 3207501
2-amino-5-cyano-6-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl-N-phenylpyridine-3-carboxamide
CID 55368988
2-(3-cyano-6-methylquinolin-2-yl)sulfanyl-N,N-diethylacetamide
CID 865636
6-methyl-2-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl-4-(trifluoromethyl)pyridine-3-carbonitrile
CID 78794439
2-(3-cyano-6-methylquinolin-2-yl)sulfanyl-N-prop-2-enylacetamide
CID 3207500
N-(3-chloro-4-methylphenyl)-2-(3-cyano-6-methylquinolin-2-yl)sulfanylacetamide
CID 1373542

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-[2-[(3R)-3-methylpiperidin-1-yl]-2-oxoethyl]sulfanylquinoline-3-carbonitrile?
The IUPAC name of 6-methyl-2-[2-[(3R)-3-methylpiperidin-1-yl]-2-oxoethyl]sulfanylquinoline-3-carbonitrile (CID 865633) is 6-methyl-2-[2-[(3R)-3-methylpiperidin-1-yl]-2-oxoethyl]sulfanylquinoline-3-carbonitrile.
What is the SMILES notation for 6-methyl-2-[2-[(3R)-3-methylpiperidin-1-yl]-2-oxoethyl]sulfanylquinoline-3-carbonitrile?
The canonical SMILES for 6-methyl-2-[2-[(3R)-3-methylpiperidin-1-yl]-2-oxoethyl]sulfanylquinoline-3-carbonitrile is Cc1ccc2nc(SCC(=O)N3CCC[C@@H](C)C3)c(C#N)cc2c1.
What is the InChIKey of 6-methyl-2-[2-[(3R)-3-methylpiperidin-1-yl]-2-oxoethyl]sulfanylquinoline-3-carbonitrile?
The InChIKey is YESGCRIHYOOEET-CQSZACIVSA-N. The full InChI is InChI=1S/C19H21N3OS/c1-13-5-6-17-15(8-13)9-16(10-20)19(21-17)24-12-18(23)22-7-3-4-14(2)11-22/h5-6,8-9,14H,3-4,7,11-12H2,1-2H3/t14-/m1/s1.
What are the key properties of 6-methyl-2-[2-[(3R)-3-methylpiperidin-1-yl]-2-oxoethyl]sulfanylquinoline-3-carbonitrile?
6-methyl-2-[2-[(3R)-3-methylpiperidin-1-yl]-2-oxoethyl]sulfanylquinoline-3-carbonitrile has a molecular weight of 339.46 g/mol, XLogP of 3.77, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-[2-[(3R)-3-methylpiperidin-1-yl]-2-oxoethyl]sulfanylquinoline-3-carbonitrile is sourced from PubChem (CID 865633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).