(4-pyrrolidin-1-yl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-quinoxalin-5-ylmethanone

C22H28N4O2 — CID 91908253

IUPAC(4-pyrrolidin-1-yl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-quinoxalin-5-ylmethanone
SMILESO=C(c1cccc2nccnc12)N1CCC2(CC1)CC(N1CCCC1)CCO2
InChIInChI=1S/C22H28N4O2/c27-21(18-4-3-5-19-20(18)24-10-9-23-19)26-13-7-22(8-14-26)16-17(6-15-28-22)25-11-1-2-12-25/h3-5,9-10,17H,1-2,6-8,11-16H2
InChIKeyDSIWUPDRTSMFBZ-UHFFFAOYSA-N
MW380.49 g/mol
LogP2.88
Rot. Bonds2

About (4-pyrrolidin-1-yl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-quinoxalin-5-ylmethanone

(4-pyrrolidin-1-yl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-quinoxalin-5-ylmethanone (PubChem CID 91908253) has the molecular formula C22H28N4O2 and a molecular weight of 380.49 g/mol. Its IUPAC name is (4-pyrrolidin-1-yl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-quinoxalin-5-ylmethanone.

Molecular Properties

Compound Name(4-pyrrolidin-1-yl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-quinoxalin-5-ylmethanone
PubChem CID91908253
Molecular FormulaC22H28N4O2
Molecular Weight380.49 g/mol
Exact Mass380.22
IUPAC Name(4-pyrrolidin-1-yl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-quinoxalin-5-ylmethanone
SMILESO=C(c1cccc2nccnc12)N1CCC2(CC1)CC(N1CCCC1)CCO2
InChIInChI=1S/C22H28N4O2/c27-21(18-4-3-5-19-20(18)24-10-9-23-19)26-13-7-22(8-14-26)16-17(6-15-28-22)25-11-1-2-12-25/h3-5,9-10,17H,1-2,6-8,11-16H2
InChIKeyDSIWUPDRTSMFBZ-UHFFFAOYSA-N
XLogP2.88
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(4-chloropiperidin-1-yl)-quinoxalin-5-ylmethanone
CID 113433257
quinoxalin-5-yl-[4-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazin-1-yl]methanone
CID 95725882
1-(quinoxaline-5-carbonyl)piperidine-3-carboxylic acid
CID 104614062
N-(2-phenylethyl)-4-pyrrolidin-1-yl-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide
CID 91908254
2-[2-oxo-8-(quinoxaline-5-carbonyl)-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]acetic acid
CID 70729953
1'-(quinoxaline-5-carbonyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-2-carboxylic acid
CID 164696405
1-(quinoxaline-5-carbonyl)azetidine-3-carboxylic acid
CID 113433187
1H-pyrazol-5-yl-[4-(4-pyridin-2-ylpiperazin-1-yl)-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone
CID 91924308
(2,6-dimethyl-4-pyridinyl)-[(5R,9R)-9-pyrrolidin-1-yl-6-oxa-2-azaspiro[4.5]decan-2-yl]methanone
CID 97477597
(8-methoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-yl)-quinoxalin-5-ylmethanone
CID 163312283
furan-2-yl-(3-pyrrolidin-1-yl-1-oxa-8-azaspiro[4.5]decan-8-yl)methanone
CID 131647701
[(4S)-4-(4-pyridin-2-ylpiperazin-1-yl)-1-oxa-9-azaspiro[5.5]undecan-9-yl]-thiophen-3-ylmethanone
CID 125461881

Frequently Asked Questions

What is the IUPAC name of (4-pyrrolidin-1-yl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-quinoxalin-5-ylmethanone?
The IUPAC name of (4-pyrrolidin-1-yl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-quinoxalin-5-ylmethanone (CID 91908253) is (4-pyrrolidin-1-yl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-quinoxalin-5-ylmethanone.
What is the SMILES notation for (4-pyrrolidin-1-yl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-quinoxalin-5-ylmethanone?
The canonical SMILES for (4-pyrrolidin-1-yl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-quinoxalin-5-ylmethanone is O=C(c1cccc2nccnc12)N1CCC2(CC1)CC(N1CCCC1)CCO2.
What is the InChIKey of (4-pyrrolidin-1-yl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-quinoxalin-5-ylmethanone?
The InChIKey is DSIWUPDRTSMFBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O2/c27-21(18-4-3-5-19-20(18)24-10-9-23-19)26-13-7-22(8-14-26)16-17(6-15-28-22)25-11-1-2-12-25/h3-5,9-10,17H,1-2,6-8,11-16H2.
What are the key properties of (4-pyrrolidin-1-yl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-quinoxalin-5-ylmethanone?
(4-pyrrolidin-1-yl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-quinoxalin-5-ylmethanone has a molecular weight of 380.49 g/mol, XLogP of 2.88, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-pyrrolidin-1-yl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-quinoxalin-5-ylmethanone is sourced from PubChem (CID 91908253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).