1-[(2R)-2-ethylpiperidin-1-yl]-2-[(8-methyl-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-7-yl)sulfanyl]ethanone

C21H26N2O3S — CID 6551514

IUPAC1-[(2R)-2-ethylpiperidin-1-yl]-2-[(8-methyl-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-7-yl)sulfanyl]ethanone
SMILESCC[C@@H]1CCCCN1C(=O)CSc1nc2cc3c(cc2cc1C)OCCO3
InChIInChI=1S/C21H26N2O3S/c1-3-16-6-4-5-7-23(16)20(24)13-27-21-14(2)10-15-11-18-19(12-17(15)22-21)26-9-8-25-18/h10-12,16H,3-9,13H2,1-2H3/t16-/m1/s1
InChIKeyXFFIHZXHLOFYFW-MRXNPFEDSA-N
MW386.52 g/mol
LogP4.20
Rot. Bonds4

About 1-[(2R)-2-ethylpiperidin-1-yl]-2-[(8-methyl-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-7-yl)sulfanyl]ethanone

1-[(2R)-2-ethylpiperidin-1-yl]-2-[(8-methyl-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-7-yl)sulfanyl]ethanone (PubChem CID 6551514) has the molecular formula C21H26N2O3S and a molecular weight of 386.52 g/mol. Its IUPAC name is 1-[(2R)-2-ethylpiperidin-1-yl]-2-[(8-methyl-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-7-yl)sulfanyl]ethanone.

Molecular Properties

Compound Name1-[(2R)-2-ethylpiperidin-1-yl]-2-[(8-methyl-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-7-yl)sulfanyl]ethanone
PubChem CID6551514
Molecular FormulaC21H26N2O3S
Molecular Weight386.52 g/mol
Exact Mass386.17
IUPAC Name1-[(2R)-2-ethylpiperidin-1-yl]-2-[(8-methyl-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-7-yl)sulfanyl]ethanone
SMILESCC[C@@H]1CCCCN1C(=O)CSc1nc2cc3c(cc2cc1C)OCCO3
InChIInChI=1S/C21H26N2O3S/c1-3-16-6-4-5-7-23(16)20(24)13-27-21-14(2)10-15-11-18-19(12-17(15)22-21)26-9-8-25-18/h10-12,16H,3-9,13H2,1-2H3/t16-/m1/s1
InChIKeyXFFIHZXHLOFYFW-MRXNPFEDSA-N
XLogP4.20
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.52
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[(2R)-2-ethylpiperidin-1-yl]-2-[(8-methyl-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-7-yl)sulfanyl]ethanone with MolForge

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Related Compounds

1-[(2S)-2-ethylpiperidin-1-yl]-2-(3-methylquinolin-2-yl)sulfanylethanone
CID 860340
1-pyrrolidin-1-yl-2-(3,6,7-trimethylquinolin-2-yl)sulfanylethanone
CID 856908
2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-1-[(2R)-2-ethylpiperidin-1-yl]ethanone
CID 40663109
2-[[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-(2-ethylpiperidin-1-yl)ethanone
CID 4064752
1-(2-ethylpiperidin-1-yl)-2-methylsulfanylethanone
CID 42891834
1-[(2R)-2-ethylpiperidin-1-yl]-2-quinazolin-4-ylsulfanylethanone
CID 2403913
1-[(2S)-2-ethylpiperidin-1-yl]-2-quinazolin-4-ylsulfanylethanone
CID 2403911
1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-(3,6,7-trimethylquinolin-2-yl)sulfanylethanone
CID 1153265
2-[(2-cyclopropyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)sulfanyl]-1-[(2S)-2-ethylpiperidin-1-yl]ethanone
CID 7130419
2-[(5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)sulfanyl]-1-[(2S)-2-ethylpiperidin-1-yl]ethanone
CID 2452392
2-[(8-methyl-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-7-yl)sulfanyl]-N-(2-morpholin-4-ylphenyl)acetamide
CID 1171997
2-[(8-methyl-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-7-yl)sulfanyl]-N-(2-phenylphenyl)acetamide
CID 1176255

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-ethylpiperidin-1-yl]-2-[(8-methyl-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-7-yl)sulfanyl]ethanone?
The IUPAC name of 1-[(2R)-2-ethylpiperidin-1-yl]-2-[(8-methyl-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-7-yl)sulfanyl]ethanone (CID 6551514) is 1-[(2R)-2-ethylpiperidin-1-yl]-2-[(8-methyl-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-7-yl)sulfanyl]ethanone.
What is the SMILES notation for 1-[(2R)-2-ethylpiperidin-1-yl]-2-[(8-methyl-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-7-yl)sulfanyl]ethanone?
The canonical SMILES for 1-[(2R)-2-ethylpiperidin-1-yl]-2-[(8-methyl-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-7-yl)sulfanyl]ethanone is CC[C@@H]1CCCCN1C(=O)CSc1nc2cc3c(cc2cc1C)OCCO3.
What is the InChIKey of 1-[(2R)-2-ethylpiperidin-1-yl]-2-[(8-methyl-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-7-yl)sulfanyl]ethanone?
The InChIKey is XFFIHZXHLOFYFW-MRXNPFEDSA-N. The full InChI is InChI=1S/C21H26N2O3S/c1-3-16-6-4-5-7-23(16)20(24)13-27-21-14(2)10-15-11-18-19(12-17(15)22-21)26-9-8-25-18/h10-12,16H,3-9,13H2,1-2H3/t16-/m1/s1.
What are the key properties of 1-[(2R)-2-ethylpiperidin-1-yl]-2-[(8-methyl-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-7-yl)sulfanyl]ethanone?
1-[(2R)-2-ethylpiperidin-1-yl]-2-[(8-methyl-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-7-yl)sulfanyl]ethanone has a molecular weight of 386.52 g/mol, XLogP of 4.20, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-ethylpiperidin-1-yl]-2-[(8-methyl-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-7-yl)sulfanyl]ethanone is sourced from PubChem (CID 6551514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).