1-morpholin-4-yl-2-[3-(2-morpholin-4-yl-2-oxoethyl)sulfanylquinoxalin-2-yl]sulfanylethanone

C20H24N4O4S2 — CID 1166837

IUPAC1-morpholin-4-yl-2-[3-(2-morpholin-4-yl-2-oxoethyl)sulfanylquinoxalin-2-yl]sulfanylethanone
SMILESO=C(CSc1nc2ccccc2nc1SCC(=O)N1CCOCC1)N1CCOCC1
InChIInChI=1S/C20H24N4O4S2/c25-17(23-5-9-27-10-6-23)13-29-19-20(22-16-4-2-1-3-15(16)21-19)30-14-18(26)24-7-11-28-12-8-24/h1-4H,5-14H2
InChIKeyYADGZXNEJMADMN-UHFFFAOYSA-N
MW448.57 g/mol
LogP1.53
Rot. Bonds6

About 1-morpholin-4-yl-2-[3-(2-morpholin-4-yl-2-oxoethyl)sulfanylquinoxalin-2-yl]sulfanylethanone

1-morpholin-4-yl-2-[3-(2-morpholin-4-yl-2-oxoethyl)sulfanylquinoxalin-2-yl]sulfanylethanone (PubChem CID 1166837) has the molecular formula C20H24N4O4S2 and a molecular weight of 448.57 g/mol. Its IUPAC name is 1-morpholin-4-yl-2-[3-(2-morpholin-4-yl-2-oxoethyl)sulfanylquinoxalin-2-yl]sulfanylethanone.

Molecular Properties

Compound Name1-morpholin-4-yl-2-[3-(2-morpholin-4-yl-2-oxoethyl)sulfanylquinoxalin-2-yl]sulfanylethanone
PubChem CID1166837
Molecular FormulaC20H24N4O4S2
Molecular Weight448.57 g/mol
Exact Mass448.12
IUPAC Name1-morpholin-4-yl-2-[3-(2-morpholin-4-yl-2-oxoethyl)sulfanylquinoxalin-2-yl]sulfanylethanone
SMILESO=C(CSc1nc2ccccc2nc1SCC(=O)N1CCOCC1)N1CCOCC1
InChIInChI=1S/C20H24N4O4S2/c25-17(23-5-9-27-10-6-23)13-29-19-20(22-16-4-2-1-3-15(16)21-19)30-14-18(26)24-7-11-28-12-8-24/h1-4H,5-14H2
InChIKeyYADGZXNEJMADMN-UHFFFAOYSA-N
XLogP1.53
TPSA84.86 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.57
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 1-morpholin-4-yl-2-[3-(2-morpholin-4-yl-2-oxoethyl)sulfanylquinoxalin-2-yl]sulfanylethanone with MolForge

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Related Compounds

1-(4-Methyl-1-piperidinyl)-2-[(3-methyl-2-quinoxalinyl)thio]ethanone
CID 935829
2-[(3-Benzylquinoxalin-2-YL)sulfanyl]-1-(piperidin-1-YL)ethan-1-one
CID 16030465
2-[3-(2-Oxo-2-piperidylethylthio)quinoxalin-2-ylthio]-1-piperidylethan-1-one
CID 1201985
2-[(2-{4-[2-(2,5-dimethyl-1H-pyrrol-1-yl)ethyl]piperazin-1-yl}-2-oxoethyl)thio]-3-morpholin-4-ylquinoxaline
CID 3240070
2-{[3-(Morpholin-4-YL)quinoxalin-2-YL]sulfanyl}-1-(4-phenylpiperazin-1-YL)ethan-1-one
CID 22332616
1-(4-(4-Fluorophenyl)piperazin-1-yl)-2-(quinoxalin-2-ylthio)ethanone
CID 4092263
2-(3-methylquinoxalin-2-yl)sulfanyl-N-(2-morpholin-4-ylphenyl)acetamide
CID 39992569
1-[4-(4-Fluorophenyl)piperazin-1-YL]-2-{[3-(morpholin-4-YL)quinoxalin-2-YL]sulfanyl}ethan-1-one
CID 22332625
N-cyclohexyl-N-ethyl-2-(3-methylquinoxalin-2-ylthio)acetamide
CID 2373663
N-(2-morpholin-4-ylethyl)-2-(3-phenylquinoxalin-2-ylthio)acetamide
CID 4092267
1-(4-Methylpiperazin-1-yl)-2-[3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]sulfanylquinoxalin-2-yl]sulfanylethanone
CID 4996642
1-{1,4-Dioxa-8-azaspiro[4.5]decan-8-YL}-2-{[3-(morpholin-4-YL)quinoxalin-2-YL]sulfanyl}ethan-1-one
CID 6620988

Frequently Asked Questions

What is the IUPAC name of 1-morpholin-4-yl-2-[3-(2-morpholin-4-yl-2-oxoethyl)sulfanylquinoxalin-2-yl]sulfanylethanone?
The IUPAC name of 1-morpholin-4-yl-2-[3-(2-morpholin-4-yl-2-oxoethyl)sulfanylquinoxalin-2-yl]sulfanylethanone (CID 1166837) is 1-morpholin-4-yl-2-[3-(2-morpholin-4-yl-2-oxoethyl)sulfanylquinoxalin-2-yl]sulfanylethanone.
What is the SMILES notation for 1-morpholin-4-yl-2-[3-(2-morpholin-4-yl-2-oxoethyl)sulfanylquinoxalin-2-yl]sulfanylethanone?
The canonical SMILES for 1-morpholin-4-yl-2-[3-(2-morpholin-4-yl-2-oxoethyl)sulfanylquinoxalin-2-yl]sulfanylethanone is O=C(CSc1nc2ccccc2nc1SCC(=O)N1CCOCC1)N1CCOCC1.
What is the InChIKey of 1-morpholin-4-yl-2-[3-(2-morpholin-4-yl-2-oxoethyl)sulfanylquinoxalin-2-yl]sulfanylethanone?
The InChIKey is YADGZXNEJMADMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O4S2/c25-17(23-5-9-27-10-6-23)13-29-19-20(22-16-4-2-1-3-15(16)21-19)30-14-18(26)24-7-11-28-12-8-24/h1-4H,5-14H2.
What are the key properties of 1-morpholin-4-yl-2-[3-(2-morpholin-4-yl-2-oxoethyl)sulfanylquinoxalin-2-yl]sulfanylethanone?
1-morpholin-4-yl-2-[3-(2-morpholin-4-yl-2-oxoethyl)sulfanylquinoxalin-2-yl]sulfanylethanone has a molecular weight of 448.57 g/mol, XLogP of 1.53, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-morpholin-4-yl-2-[3-(2-morpholin-4-yl-2-oxoethyl)sulfanylquinoxalin-2-yl]sulfanylethanone is sourced from PubChem (CID 1166837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).