2-(4,6-dimethylquinolin-2-yl)sulfanyl-1-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)ethanone

C19H23N3OS — CID 146044569

IUPAC2-(4,6-dimethylquinolin-2-yl)sulfanyl-1-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)ethanone
SMILESCc1ccc2nc(SCC(=O)N3CC4(CN(C)C4)C3)cc(C)c2c1
InChIInChI=1S/C19H23N3OS/c1-13-4-5-16-15(6-13)14(2)7-17(20-16)24-8-18(23)22-11-19(12-22)9-21(3)10-19/h4-7H,8-12H2,1-3H3
InChIKeyPOOBKJWPAPBGGZ-UHFFFAOYSA-N
MW341.48 g/mol
LogP2.72
Rot. Bonds3

About 2-(4,6-dimethylquinolin-2-yl)sulfanyl-1-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)ethanone

2-(4,6-dimethylquinolin-2-yl)sulfanyl-1-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)ethanone (PubChem CID 146044569) has the molecular formula C19H23N3OS and a molecular weight of 341.48 g/mol. Its IUPAC name is 2-(4,6-dimethylquinolin-2-yl)sulfanyl-1-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)ethanone.

Molecular Properties

Compound Name2-(4,6-dimethylquinolin-2-yl)sulfanyl-1-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)ethanone
PubChem CID146044569
Molecular FormulaC19H23N3OS
Molecular Weight341.48 g/mol
Exact Mass341.16
IUPAC Name2-(4,6-dimethylquinolin-2-yl)sulfanyl-1-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)ethanone
SMILESCc1ccc2nc(SCC(=O)N3CC4(CN(C)C4)C3)cc(C)c2c1
InChIInChI=1S/C19H23N3OS/c1-13-4-5-16-15(6-13)14(2)7-17(20-16)24-8-18(23)22-11-19(12-22)9-21(3)10-19/h4-7H,8-12H2,1-3H3
InChIKeyPOOBKJWPAPBGGZ-UHFFFAOYSA-N
XLogP2.72
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.48
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(4,6-dimethylquinolin-2-yl)sulfanyl-1-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)ethanone with MolForge

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Related Compounds

2-(4,6-dimethylquinolin-2-yl)sulfanyl-1-[(3R,4R)-3-hydroxy-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-1-yl]ethanone
CID 155909362
(3S,8aR)-2-[2-(4,6-dimethylquinolin-2-yl)sulfanylacetyl]-3-methyl-1,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-4-one
CID 137342292
(3S,8aS)-2-[2-(4,6-dimethylquinolin-2-yl)sulfanylacetyl]-3-methyl-1,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-4-one
CID 137343123
4-[[[2-(4,6-dimethylquinolin-2-yl)sulfanylacetyl]hydrazinylidene]methyl]benzoic acid
CID 1130711
2-(4,6-dimethylquinolin-2-yl)sulfanylacetonitrile
CID 43840430
2-(4-methyl-6-propan-2-ylquinolin-2-yl)sulfanylacetic acid
CID 43840423
4,6-dimethyl-2-methylsulfanylquinoline
CID 11499416
4-[(Z)-[[2-(4,6-dimethylquinolin-2-yl)sulfanylacetyl]hydrazinylidene]methyl]benzoate
CID 7452917
1-(2,5-dimethylphenyl)-2-(4-methylquinolin-2-yl)sulfanylethanone
CID 4019313
1-piperidin-1-yl-2-(4,6,8-trimethylquinolin-2-yl)sulfanylethanone
CID 860360
3-[5-(4,6-dimethylquinolin-2-yl)sulfanylpentyl]-1,3-thiazolidine
CID 3038833
1-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-(4-methylquinolin-2-yl)sulfanylethanone
CID 863275

Frequently Asked Questions

What is the IUPAC name of 2-(4,6-dimethylquinolin-2-yl)sulfanyl-1-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)ethanone?
The IUPAC name of 2-(4,6-dimethylquinolin-2-yl)sulfanyl-1-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)ethanone (CID 146044569) is 2-(4,6-dimethylquinolin-2-yl)sulfanyl-1-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)ethanone.
What is the SMILES notation for 2-(4,6-dimethylquinolin-2-yl)sulfanyl-1-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)ethanone?
The canonical SMILES for 2-(4,6-dimethylquinolin-2-yl)sulfanyl-1-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)ethanone is Cc1ccc2nc(SCC(=O)N3CC4(CN(C)C4)C3)cc(C)c2c1.
What is the InChIKey of 2-(4,6-dimethylquinolin-2-yl)sulfanyl-1-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)ethanone?
The InChIKey is POOBKJWPAPBGGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3OS/c1-13-4-5-16-15(6-13)14(2)7-17(20-16)24-8-18(23)22-11-19(12-22)9-21(3)10-19/h4-7H,8-12H2,1-3H3.
What are the key properties of 2-(4,6-dimethylquinolin-2-yl)sulfanyl-1-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)ethanone?
2-(4,6-dimethylquinolin-2-yl)sulfanyl-1-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)ethanone has a molecular weight of 341.48 g/mol, XLogP of 2.72, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,6-dimethylquinolin-2-yl)sulfanyl-1-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)ethanone is sourced from PubChem (CID 146044569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).