2-azaspiro[5.5]undecan-2-yl(quinoxalin-2-yl)methanone

C19H23N3O — CID 54583940

IUPAC2-azaspiro[5.5]undecan-2-yl(quinoxalin-2-yl)methanone
SMILESO=C(c1cnc2ccccc2n1)N1CCCC2(CCCCC2)C1
InChIInChI=1S/C19H23N3O/c23-18(17-13-20-15-7-2-3-8-16(15)21-17)22-12-6-11-19(14-22)9-4-1-5-10-19/h2-3,7-8,13H,1,4-6,9-12,14H2
InChIKeyZJDYQLOLXCNEQG-UHFFFAOYSA-N
MW309.41 g/mol
LogP3.82
Rot. Bonds1

About 2-azaspiro[5.5]undecan-2-yl(quinoxalin-2-yl)methanone

2-azaspiro[5.5]undecan-2-yl(quinoxalin-2-yl)methanone (PubChem CID 54583940) has the molecular formula C19H23N3O and a molecular weight of 309.41 g/mol. Its IUPAC name is 2-azaspiro[5.5]undecan-2-yl(quinoxalin-2-yl)methanone.

Molecular Properties

Compound Name2-azaspiro[5.5]undecan-2-yl(quinoxalin-2-yl)methanone
PubChem CID54583940
Molecular FormulaC19H23N3O
Molecular Weight309.41 g/mol
Exact Mass309.18
IUPAC Name2-azaspiro[5.5]undecan-2-yl(quinoxalin-2-yl)methanone
SMILESO=C(c1cnc2ccccc2n1)N1CCCC2(CCCCC2)C1
InChIInChI=1S/C19H23N3O/c23-18(17-13-20-15-7-2-3-8-16(15)21-17)22-12-6-11-19(14-22)9-4-1-5-10-19/h2-3,7-8,13H,1,4-6,9-12,14H2
InChIKeyZJDYQLOLXCNEQG-UHFFFAOYSA-N
XLogP3.82
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-azaspiro[5.5]undecan-2-yl(quinoxalin-2-yl)methanone?
The IUPAC name of 2-azaspiro[5.5]undecan-2-yl(quinoxalin-2-yl)methanone (CID 54583940) is 2-azaspiro[5.5]undecan-2-yl(quinoxalin-2-yl)methanone.
What is the SMILES notation for 2-azaspiro[5.5]undecan-2-yl(quinoxalin-2-yl)methanone?
The canonical SMILES for 2-azaspiro[5.5]undecan-2-yl(quinoxalin-2-yl)methanone is O=C(c1cnc2ccccc2n1)N1CCCC2(CCCCC2)C1.
What is the InChIKey of 2-azaspiro[5.5]undecan-2-yl(quinoxalin-2-yl)methanone?
The InChIKey is ZJDYQLOLXCNEQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O/c23-18(17-13-20-15-7-2-3-8-16(15)21-17)22-12-6-11-19(14-22)9-4-1-5-10-19/h2-3,7-8,13H,1,4-6,9-12,14H2.
What are the key properties of 2-azaspiro[5.5]undecan-2-yl(quinoxalin-2-yl)methanone?
2-azaspiro[5.5]undecan-2-yl(quinoxalin-2-yl)methanone has a molecular weight of 309.41 g/mol, XLogP of 3.82, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-azaspiro[5.5]undecan-2-yl(quinoxalin-2-yl)methanone is sourced from PubChem (CID 54583940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).