9-(quinoxalin-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-1-one

C18H22N4O — CID 95853396

IUPAC9-(quinoxalin-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-1-one
SMILESO=C1NCCCC12CCN(Cc1cnc3ccccc3n1)CC2
InChIInChI=1S/C18H22N4O/c23-17-18(6-3-9-19-17)7-10-22(11-8-18)13-14-12-20-15-4-1-2-5-16(15)21-14/h1-2,4-5,12H,3,6-11,13H2,(H,19,23)
InChIKeyVMAGPHXBMCKBNS-UHFFFAOYSA-N
MW310.40 g/mol
LogP2.12
Rot. Bonds2

About 9-(quinoxalin-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-1-one

9-(quinoxalin-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-1-one (PubChem CID 95853396) has the molecular formula C18H22N4O and a molecular weight of 310.40 g/mol. Its IUPAC name is 9-(quinoxalin-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-1-one.

Molecular Properties

Compound Name9-(quinoxalin-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-1-one
PubChem CID95853396
Molecular FormulaC18H22N4O
Molecular Weight310.40 g/mol
Exact Mass310.18
IUPAC Name9-(quinoxalin-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-1-one
SMILESO=C1NCCCC12CCN(Cc1cnc3ccccc3n1)CC2
InChIInChI=1S/C18H22N4O/c23-17-18(6-3-9-19-17)7-10-22(11-8-18)13-14-12-20-15-4-1-2-5-16(15)21-14/h1-2,4-5,12H,3,6-11,13H2,(H,19,23)
InChIKeyVMAGPHXBMCKBNS-UHFFFAOYSA-N
XLogP2.12
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 9-(quinoxalin-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-1-one?
The IUPAC name of 9-(quinoxalin-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-1-one (CID 95853396) is 9-(quinoxalin-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-1-one.
What is the SMILES notation for 9-(quinoxalin-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-1-one?
The canonical SMILES for 9-(quinoxalin-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-1-one is O=C1NCCCC12CCN(Cc1cnc3ccccc3n1)CC2.
What is the InChIKey of 9-(quinoxalin-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-1-one?
The InChIKey is VMAGPHXBMCKBNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O/c23-17-18(6-3-9-19-17)7-10-22(11-8-18)13-14-12-20-15-4-1-2-5-16(15)21-14/h1-2,4-5,12H,3,6-11,13H2,(H,19,23).
What are the key properties of 9-(quinoxalin-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-1-one?
9-(quinoxalin-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-1-one has a molecular weight of 310.40 g/mol, XLogP of 2.12, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(quinoxalin-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-1-one is sourced from PubChem (CID 95853396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).