11-quinoxalin-2-yl-2,9-diazaspiro[5.5]undecan-1-one

C17H20N4O — CID 67254376

IUPAC11-quinoxalin-2-yl-2,9-diazaspiro[5.5]undecan-1-one
SMILESO=C1NCCCC12CCNCC2c1cnc2ccccc2n1
InChIInChI=1S/C17H20N4O/c22-16-17(6-3-8-19-16)7-9-18-10-12(17)15-11-20-13-4-1-2-5-14(13)21-15/h1-2,4-5,11-12,18H,3,6-10H2,(H,19,22)
InChIKeyVZVHITOWVZJZPW-UHFFFAOYSA-N
MW296.37 g/mol
LogP1.60
Rot. Bonds1

About 11-quinoxalin-2-yl-2,9-diazaspiro[5.5]undecan-1-one

11-quinoxalin-2-yl-2,9-diazaspiro[5.5]undecan-1-one (PubChem CID 67254376) has the molecular formula C17H20N4O and a molecular weight of 296.37 g/mol. Its IUPAC name is 11-quinoxalin-2-yl-2,9-diazaspiro[5.5]undecan-1-one.

Molecular Properties

Compound Name11-quinoxalin-2-yl-2,9-diazaspiro[5.5]undecan-1-one
PubChem CID67254376
Molecular FormulaC17H20N4O
Molecular Weight296.37 g/mol
Exact Mass296.16
IUPAC Name11-quinoxalin-2-yl-2,9-diazaspiro[5.5]undecan-1-one
SMILESO=C1NCCCC12CCNCC2c1cnc2ccccc2n1
InChIInChI=1S/C17H20N4O/c22-16-17(6-3-8-19-16)7-9-18-10-12(17)15-11-20-13-4-1-2-5-14(13)21-15/h1-2,4-5,11-12,18H,3,6-10H2,(H,19,22)
InChIKeyVZVHITOWVZJZPW-UHFFFAOYSA-N
XLogP1.60
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 11-quinoxalin-2-yl-2,9-diazaspiro[5.5]undecan-1-one?
The IUPAC name of 11-quinoxalin-2-yl-2,9-diazaspiro[5.5]undecan-1-one (CID 67254376) is 11-quinoxalin-2-yl-2,9-diazaspiro[5.5]undecan-1-one.
What is the SMILES notation for 11-quinoxalin-2-yl-2,9-diazaspiro[5.5]undecan-1-one?
The canonical SMILES for 11-quinoxalin-2-yl-2,9-diazaspiro[5.5]undecan-1-one is O=C1NCCCC12CCNCC2c1cnc2ccccc2n1.
What is the InChIKey of 11-quinoxalin-2-yl-2,9-diazaspiro[5.5]undecan-1-one?
The InChIKey is VZVHITOWVZJZPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O/c22-16-17(6-3-8-19-16)7-9-18-10-12(17)15-11-20-13-4-1-2-5-14(13)21-15/h1-2,4-5,11-12,18H,3,6-10H2,(H,19,22).
What are the key properties of 11-quinoxalin-2-yl-2,9-diazaspiro[5.5]undecan-1-one?
11-quinoxalin-2-yl-2,9-diazaspiro[5.5]undecan-1-one has a molecular weight of 296.37 g/mol, XLogP of 1.60, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 11-quinoxalin-2-yl-2,9-diazaspiro[5.5]undecan-1-one is sourced from PubChem (CID 67254376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).