5-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-7-fluoropyrrolo[1,2-a]quinoxalin-4-one

C20H20FN3O4 — CID 22522746

IUPAC5-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-7-fluoropyrrolo[1,2-a]quinoxalin-4-one
SMILESO=C(Cn1c(=O)c2cccn2c2ccc(F)cc21)N1CCC2(CC1)OCCO2
InChIInChI=1S/C20H20FN3O4/c21-14-3-4-15-17(12-14)24(19(26)16-2-1-7-23(15)16)13-18(25)22-8-5-20(6-9-22)27-10-11-28-20/h1-4,7,12H,5-6,8-11,13H2
InChIKeyMSOKIMOKLDYRLW-UHFFFAOYSA-N
MW385.40 g/mol
LogP1.76
Rot. Bonds2

About 5-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-7-fluoropyrrolo[1,2-a]quinoxalin-4-one

5-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-7-fluoropyrrolo[1,2-a]quinoxalin-4-one (PubChem CID 22522746) has the molecular formula C20H20FN3O4 and a molecular weight of 385.40 g/mol. Its IUPAC name is 5-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-7-fluoropyrrolo[1,2-a]quinoxalin-4-one.

Molecular Properties

Compound Name5-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-7-fluoropyrrolo[1,2-a]quinoxalin-4-one
PubChem CID22522746
Molecular FormulaC20H20FN3O4
Molecular Weight385.40 g/mol
Exact Mass385.14
IUPAC Name5-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-7-fluoropyrrolo[1,2-a]quinoxalin-4-one
SMILESO=C(Cn1c(=O)c2cccn2c2ccc(F)cc21)N1CCC2(CC1)OCCO2
InChIInChI=1S/C20H20FN3O4/c21-14-3-4-15-17(12-14)24(19(26)16-2-1-7-23(15)16)13-18(25)22-8-5-20(6-9-22)27-10-11-28-20/h1-4,7,12H,5-6,8-11,13H2
InChIKeyMSOKIMOKLDYRLW-UHFFFAOYSA-N
XLogP1.76
TPSA65.18 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.40
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-7-fluoropyrrolo[1,2-a]quinoxalin-4-one?
The IUPAC name of 5-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-7-fluoropyrrolo[1,2-a]quinoxalin-4-one (CID 22522746) is 5-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-7-fluoropyrrolo[1,2-a]quinoxalin-4-one.
What is the SMILES notation for 5-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-7-fluoropyrrolo[1,2-a]quinoxalin-4-one?
The canonical SMILES for 5-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-7-fluoropyrrolo[1,2-a]quinoxalin-4-one is O=C(Cn1c(=O)c2cccn2c2ccc(F)cc21)N1CCC2(CC1)OCCO2.
What is the InChIKey of 5-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-7-fluoropyrrolo[1,2-a]quinoxalin-4-one?
The InChIKey is MSOKIMOKLDYRLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3O4/c21-14-3-4-15-17(12-14)24(19(26)16-2-1-7-23(15)16)13-18(25)22-8-5-20(6-9-22)27-10-11-28-20/h1-4,7,12H,5-6,8-11,13H2.
What are the key properties of 5-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-7-fluoropyrrolo[1,2-a]quinoxalin-4-one?
5-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-7-fluoropyrrolo[1,2-a]quinoxalin-4-one has a molecular weight of 385.40 g/mol, XLogP of 1.76, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-7-fluoropyrrolo[1,2-a]quinoxalin-4-one is sourced from PubChem (CID 22522746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).