1-[2-(1-oxa-9-azaspiro[4.6]undecan-9-yl)-2-oxoethyl]quinoxalin-2-one

C19H23N3O3 — CID 72919012

IUPAC1-[2-(1-oxa-9-azaspiro[4.6]undecan-9-yl)-2-oxoethyl]quinoxalin-2-one
SMILESO=C(Cn1c(=O)cnc2ccccc21)N1CCCC2(CCCO2)CC1
InChIInChI=1S/C19H23N3O3/c23-17-13-20-15-5-1-2-6-16(15)22(17)14-18(24)21-10-3-7-19(9-11-21)8-4-12-25-19/h1-2,5-6,13H,3-4,7-12,14H2
InChIKeyJMDMRSAACRPZEJ-UHFFFAOYSA-N
MW341.41 g/mol
LogP1.96
Rot. Bonds2

About 1-[2-(1-oxa-9-azaspiro[4.6]undecan-9-yl)-2-oxoethyl]quinoxalin-2-one

1-[2-(1-oxa-9-azaspiro[4.6]undecan-9-yl)-2-oxoethyl]quinoxalin-2-one (PubChem CID 72919012) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is 1-[2-(1-oxa-9-azaspiro[4.6]undecan-9-yl)-2-oxoethyl]quinoxalin-2-one.

Molecular Properties

Compound Name1-[2-(1-oxa-9-azaspiro[4.6]undecan-9-yl)-2-oxoethyl]quinoxalin-2-one
PubChem CID72919012
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC Name1-[2-(1-oxa-9-azaspiro[4.6]undecan-9-yl)-2-oxoethyl]quinoxalin-2-one
SMILESO=C(Cn1c(=O)cnc2ccccc21)N1CCCC2(CCCO2)CC1
InChIInChI=1S/C19H23N3O3/c23-17-13-20-15-5-1-2-6-16(15)22(17)14-18(24)21-10-3-7-19(9-11-21)8-4-12-25-19/h1-2,5-6,13H,3-4,7-12,14H2
InChIKeyJMDMRSAACRPZEJ-UHFFFAOYSA-N
XLogP1.96
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-oxa-9-azaspiro[4.6]undecan-9-yl)-2-oxoethyl]quinoxalin-2-one?
The IUPAC name of 1-[2-(1-oxa-9-azaspiro[4.6]undecan-9-yl)-2-oxoethyl]quinoxalin-2-one (CID 72919012) is 1-[2-(1-oxa-9-azaspiro[4.6]undecan-9-yl)-2-oxoethyl]quinoxalin-2-one.
What is the SMILES notation for 1-[2-(1-oxa-9-azaspiro[4.6]undecan-9-yl)-2-oxoethyl]quinoxalin-2-one?
The canonical SMILES for 1-[2-(1-oxa-9-azaspiro[4.6]undecan-9-yl)-2-oxoethyl]quinoxalin-2-one is O=C(Cn1c(=O)cnc2ccccc21)N1CCCC2(CCCO2)CC1.
What is the InChIKey of 1-[2-(1-oxa-9-azaspiro[4.6]undecan-9-yl)-2-oxoethyl]quinoxalin-2-one?
The InChIKey is JMDMRSAACRPZEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3/c23-17-13-20-15-5-1-2-6-16(15)22(17)14-18(24)21-10-3-7-19(9-11-21)8-4-12-25-19/h1-2,5-6,13H,3-4,7-12,14H2.
What are the key properties of 1-[2-(1-oxa-9-azaspiro[4.6]undecan-9-yl)-2-oxoethyl]quinoxalin-2-one?
1-[2-(1-oxa-9-azaspiro[4.6]undecan-9-yl)-2-oxoethyl]quinoxalin-2-one has a molecular weight of 341.41 g/mol, XLogP of 1.96, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-oxa-9-azaspiro[4.6]undecan-9-yl)-2-oxoethyl]quinoxalin-2-one is sourced from PubChem (CID 72919012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).