2-[(7-ethyl-[1,3]dioxolo[4,5-g]quinolin-6-yl)sulfanyl]-1-[(3R)-3-methylpiperidin-1-yl]ethanone

C20H24N2O3S — CID 7383528

IUPAC2-[(7-ethyl-[1,3]dioxolo[4,5-g]quinolin-6-yl)sulfanyl]-1-[(3R)-3-methylpiperidin-1-yl]ethanone
SMILESCCc1cc2cc3c(cc2nc1SCC(=O)N1CCC[C@@H](C)C1)OCO3
InChIInChI=1S/C20H24N2O3S/c1-3-14-7-15-8-17-18(25-12-24-17)9-16(15)21-20(14)26-11-19(23)22-6-4-5-13(2)10-22/h7-9,13H,3-6,10-12H2,1-2H3/t13-/m1/s1
InChIKeyJVLSCRFHOWLIMY-CYBMUJFWSA-N
MW372.49 g/mol
LogP3.88
Rot. Bonds4

About 2-[(7-ethyl-[1,3]dioxolo[4,5-g]quinolin-6-yl)sulfanyl]-1-[(3R)-3-methylpiperidin-1-yl]ethanone

2-[(7-ethyl-[1,3]dioxolo[4,5-g]quinolin-6-yl)sulfanyl]-1-[(3R)-3-methylpiperidin-1-yl]ethanone (PubChem CID 7383528) has the molecular formula C20H24N2O3S and a molecular weight of 372.49 g/mol. Its IUPAC name is 2-[(7-ethyl-[1,3]dioxolo[4,5-g]quinolin-6-yl)sulfanyl]-1-[(3R)-3-methylpiperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-[(7-ethyl-[1,3]dioxolo[4,5-g]quinolin-6-yl)sulfanyl]-1-[(3R)-3-methylpiperidin-1-yl]ethanone
PubChem CID7383528
Molecular FormulaC20H24N2O3S
Molecular Weight372.49 g/mol
Exact Mass372.15
IUPAC Name2-[(7-ethyl-[1,3]dioxolo[4,5-g]quinolin-6-yl)sulfanyl]-1-[(3R)-3-methylpiperidin-1-yl]ethanone
SMILESCCc1cc2cc3c(cc2nc1SCC(=O)N1CCC[C@@H](C)C1)OCO3
InChIInChI=1S/C20H24N2O3S/c1-3-14-7-15-8-17-18(25-12-24-17)9-16(15)21-20(14)26-11-19(23)22-6-4-5-13(2)10-22/h7-9,13H,3-6,10-12H2,1-2H3/t13-/m1/s1
InChIKeyJVLSCRFHOWLIMY-CYBMUJFWSA-N
XLogP3.88
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.49
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[(7-ethyl-[1,3]dioxolo[4,5-g]quinolin-6-yl)sulfanyl]-1-[(3R)-3-methylpiperidin-1-yl]ethanone with MolForge

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Related Compounds

2-[(7-ethyl-[1,3]dioxolo[4,5-g]quinolin-6-yl)sulfanyl]-1-piperidin-1-ylethanone
CID 3208237
2-(3-ethyl-7-methylquinolin-2-yl)sulfanyl-1-(3-methylpiperidin-1-yl)ethanone
CID 3206706
2-(3-ethyl-6,7-dimethylquinolin-2-yl)sulfanyl-1-pyrrolidin-1-ylethanone
CID 857528
2-(3,7-dimethylquinolin-2-yl)sulfanyl-1-(3-methylpiperidin-1-yl)ethanone
CID 3189723
6-methyl-2-[2-[(3R)-3-methylpiperidin-1-yl]-2-oxoethyl]sulfanylquinoline-3-carbonitrile
CID 865633
2-[(7-benzyl-[1,3]dioxolo[4,5-g]quinolin-6-yl)sulfanyl]-1-(4-phenylpiperazin-1-yl)ethanone
CID 3218851
1-(3-methylpiperidin-1-yl)-2-phthalazin-1-ylsulfanylethanone
CID 134027362
2-(1-methylbenzimidazol-2-yl)sulfanyl-1-(3-methylpiperidin-1-yl)ethanone
CID 17413749
1-(3-methylpiperidin-1-yl)-2-methylsulfanylethanone
CID 42910082
1-(3-methylpiperidin-1-yl)-2-pyridin-4-ylsulfanylethanone
CID 42892883
2-[(4-amino-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-1-[(3R)-3-methylpiperidin-1-yl]ethanone
CID 9273096
6-methyl-2-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl-4-(trifluoromethyl)pyridine-3-carbonitrile
CID 78794439

Frequently Asked Questions

What is the IUPAC name of 2-[(7-ethyl-[1,3]dioxolo[4,5-g]quinolin-6-yl)sulfanyl]-1-[(3R)-3-methylpiperidin-1-yl]ethanone?
The IUPAC name of 2-[(7-ethyl-[1,3]dioxolo[4,5-g]quinolin-6-yl)sulfanyl]-1-[(3R)-3-methylpiperidin-1-yl]ethanone (CID 7383528) is 2-[(7-ethyl-[1,3]dioxolo[4,5-g]quinolin-6-yl)sulfanyl]-1-[(3R)-3-methylpiperidin-1-yl]ethanone.
What is the SMILES notation for 2-[(7-ethyl-[1,3]dioxolo[4,5-g]quinolin-6-yl)sulfanyl]-1-[(3R)-3-methylpiperidin-1-yl]ethanone?
The canonical SMILES for 2-[(7-ethyl-[1,3]dioxolo[4,5-g]quinolin-6-yl)sulfanyl]-1-[(3R)-3-methylpiperidin-1-yl]ethanone is CCc1cc2cc3c(cc2nc1SCC(=O)N1CCC[C@@H](C)C1)OCO3.
What is the InChIKey of 2-[(7-ethyl-[1,3]dioxolo[4,5-g]quinolin-6-yl)sulfanyl]-1-[(3R)-3-methylpiperidin-1-yl]ethanone?
The InChIKey is JVLSCRFHOWLIMY-CYBMUJFWSA-N. The full InChI is InChI=1S/C20H24N2O3S/c1-3-14-7-15-8-17-18(25-12-24-17)9-16(15)21-20(14)26-11-19(23)22-6-4-5-13(2)10-22/h7-9,13H,3-6,10-12H2,1-2H3/t13-/m1/s1.
What are the key properties of 2-[(7-ethyl-[1,3]dioxolo[4,5-g]quinolin-6-yl)sulfanyl]-1-[(3R)-3-methylpiperidin-1-yl]ethanone?
2-[(7-ethyl-[1,3]dioxolo[4,5-g]quinolin-6-yl)sulfanyl]-1-[(3R)-3-methylpiperidin-1-yl]ethanone has a molecular weight of 372.49 g/mol, XLogP of 3.88, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(7-ethyl-[1,3]dioxolo[4,5-g]quinolin-6-yl)sulfanyl]-1-[(3R)-3-methylpiperidin-1-yl]ethanone is sourced from PubChem (CID 7383528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).