1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-(3-morpholin-4-ylquinoxalin-2-yl)sulfanylethanone

C21H26N4O4S — CID 6620988

IUPAC1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-(3-morpholin-4-ylquinoxalin-2-yl)sulfanylethanone
SMILESO=C(CSc1nc2ccccc2nc1N1CCOCC1)N1CCC2(CC1)OCCO2
InChIInChI=1S/C21H26N4O4S/c26-18(24-7-5-21(6-8-24)28-13-14-29-21)15-30-20-19(25-9-11-27-12-10-25)22-16-3-1-2-4-17(16)23-20/h1-4H,5-15H2
InChIKeyUNEPNGSSIPUKMG-UHFFFAOYSA-N
MW430.53 g/mol
LogP1.92
Rot. Bonds4

About 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-(3-morpholin-4-ylquinoxalin-2-yl)sulfanylethanone

1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-(3-morpholin-4-ylquinoxalin-2-yl)sulfanylethanone (PubChem CID 6620988) has the molecular formula C21H26N4O4S and a molecular weight of 430.53 g/mol. Its IUPAC name is 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-(3-morpholin-4-ylquinoxalin-2-yl)sulfanylethanone.

Molecular Properties

Compound Name1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-(3-morpholin-4-ylquinoxalin-2-yl)sulfanylethanone
PubChem CID6620988
Molecular FormulaC21H26N4O4S
Molecular Weight430.53 g/mol
Exact Mass430.17
IUPAC Name1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-(3-morpholin-4-ylquinoxalin-2-yl)sulfanylethanone
SMILESO=C(CSc1nc2ccccc2nc1N1CCOCC1)N1CCC2(CC1)OCCO2
InChIInChI=1S/C21H26N4O4S/c26-18(24-7-5-21(6-8-24)28-13-14-29-21)15-30-20-19(25-9-11-27-12-10-25)22-16-3-1-2-4-17(16)23-20/h1-4H,5-15H2
InChIKeyUNEPNGSSIPUKMG-UHFFFAOYSA-N
XLogP1.92
TPSA77.02 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.53
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-(3-morpholin-4-ylquinoxalin-2-yl)sulfanylethanone?
The IUPAC name of 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-(3-morpholin-4-ylquinoxalin-2-yl)sulfanylethanone (CID 6620988) is 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-(3-morpholin-4-ylquinoxalin-2-yl)sulfanylethanone.
What is the SMILES notation for 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-(3-morpholin-4-ylquinoxalin-2-yl)sulfanylethanone?
The canonical SMILES for 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-(3-morpholin-4-ylquinoxalin-2-yl)sulfanylethanone is O=C(CSc1nc2ccccc2nc1N1CCOCC1)N1CCC2(CC1)OCCO2.
What is the InChIKey of 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-(3-morpholin-4-ylquinoxalin-2-yl)sulfanylethanone?
The InChIKey is UNEPNGSSIPUKMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O4S/c26-18(24-7-5-21(6-8-24)28-13-14-29-21)15-30-20-19(25-9-11-27-12-10-25)22-16-3-1-2-4-17(16)23-20/h1-4H,5-15H2.
What are the key properties of 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-(3-morpholin-4-ylquinoxalin-2-yl)sulfanylethanone?
1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-(3-morpholin-4-ylquinoxalin-2-yl)sulfanylethanone has a molecular weight of 430.53 g/mol, XLogP of 1.92, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-(3-morpholin-4-ylquinoxalin-2-yl)sulfanylethanone is sourced from PubChem (CID 6620988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).