2-(7-azabicyclo[4.2.0]octa-1,3,5,7-tetraen-2-ylmethyl)-8-quinoxalin-2-yl-2,8-diazaspiro[4.5]decan-1-one

C24H23N5O — CID 163984532

IUPAC2-(7-azabicyclo[4.2.0]octa-1,3,5,7-tetraen-2-ylmethyl)-8-quinoxalin-2-yl-2,8-diazaspiro[4.5]decan-1-one
SMILESO=C1N(Cc2cccc3c2C=N3)CCC12CCN(c1cnc3ccccc3n1)CC2
InChIInChI=1S/C24H23N5O/c30-23-24(10-13-29(23)16-17-4-3-7-19-18(17)14-25-19)8-11-28(12-9-24)22-15-26-20-5-1-2-6-21(20)27-22/h1-7,14-15H,8-13,16H2
InChIKeyTVCKPCXELGDVPT-UHFFFAOYSA-N
MW397.48 g/mol
LogP3.71
Rot. Bonds3

About 2-(7-azabicyclo[4.2.0]octa-1,3,5,7-tetraen-2-ylmethyl)-8-quinoxalin-2-yl-2,8-diazaspiro[4.5]decan-1-one

2-(7-azabicyclo[4.2.0]octa-1,3,5,7-tetraen-2-ylmethyl)-8-quinoxalin-2-yl-2,8-diazaspiro[4.5]decan-1-one (PubChem CID 163984532) has the molecular formula C24H23N5O and a molecular weight of 397.48 g/mol. Its IUPAC name is 2-(7-azabicyclo[4.2.0]octa-1,3,5,7-tetraen-2-ylmethyl)-8-quinoxalin-2-yl-2,8-diazaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name2-(7-azabicyclo[4.2.0]octa-1,3,5,7-tetraen-2-ylmethyl)-8-quinoxalin-2-yl-2,8-diazaspiro[4.5]decan-1-one
PubChem CID163984532
Molecular FormulaC24H23N5O
Molecular Weight397.48 g/mol
Exact Mass397.19
IUPAC Name2-(7-azabicyclo[4.2.0]octa-1,3,5,7-tetraen-2-ylmethyl)-8-quinoxalin-2-yl-2,8-diazaspiro[4.5]decan-1-one
SMILESO=C1N(Cc2cccc3c2C=N3)CCC12CCN(c1cnc3ccccc3n1)CC2
InChIInChI=1S/C24H23N5O/c30-23-24(10-13-29(23)16-17-4-3-7-19-18(17)14-25-19)8-11-28(12-9-24)22-15-26-20-5-1-2-6-21(20)27-22/h1-7,14-15H,8-13,16H2
InChIKeyTVCKPCXELGDVPT-UHFFFAOYSA-N
XLogP3.71
TPSA61.69 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-(7-azabicyclo[4.2.0]octa-1,3,5,7-tetraen-2-ylmethyl)-8-quinoxalin-2-yl-2,8-diazaspiro[4.5]decan-1-one with MolForge

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Related Compounds

2-[[2-(furan-2-yl)phenyl]methyl]-9-quinoxalin-2-yl-2,9-diazaspiro[5.5]undecan-1-one
CID 53259294
2-(1H-indol-3-ylmethyl)-9-quinoxalin-2-yl-2,9-diazaspiro[4.5]decan-1-one
CID 67984473
2-[[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]methyl]-9-quinoxalin-2-yl-2,9-diazaspiro[5.5]undecan-1-one
CID 53259467
2-(2-morpholin-4-ylethyl)-7-quinoxalin-2-yl-2,7-diazaspiro[4.4]nonan-1-one
CID 175645511
5-[(1-oxo-9-quinoxalin-2-yl-2,9-diazaspiro[5.5]undecan-2-yl)methyl]pyridine-2-carbonitrile
CID 67250957
2-[(3-pyrazol-1-ylphenyl)methyl]-9-quinoxalin-2-yl-2,9-diazaspiro[5.5]undecan-1-one
CID 53259291
(5S)-7-methyl-2-quinoxalin-2-yl-2,7-diazaspiro[4.5]decan-6-one
CID 97142246
2-(isoquinolin-1-ylmethyl)-9-quinoxalin-2-yl-2,9-diazaspiro[5.5]undecan-1-one;3-[(1-oxo-9-quinoxalin-2-yl-2,9-diazaspiro[5.5]undecan-2-yl)methyl]benzonitrile
CID 158306748
2-[2-(2-aminophenyl)-2-iminoethyl]-9-quinoxalin-2-yl-2,9-diazaspiro[5.5]undecan-1-one
CID 71811188
2-[(2-iodophenyl)methyl]-2,8-diazaspiro[4.5]decan-1-one
CID 45074112
2-(pyridin-3-ylmethyl)-9-quinoxalin-2-yl-2,9-diazaspiro[5.5]undecan-3-one
CID 70779359
2-(3-phenylpropyl)-8-quinoxalin-2-yl-2,8-diazaspiro[4.5]decan-3-one
CID 72854437

Frequently Asked Questions

What is the IUPAC name of 2-(7-azabicyclo[4.2.0]octa-1,3,5,7-tetraen-2-ylmethyl)-8-quinoxalin-2-yl-2,8-diazaspiro[4.5]decan-1-one?
The IUPAC name of 2-(7-azabicyclo[4.2.0]octa-1,3,5,7-tetraen-2-ylmethyl)-8-quinoxalin-2-yl-2,8-diazaspiro[4.5]decan-1-one (CID 163984532) is 2-(7-azabicyclo[4.2.0]octa-1,3,5,7-tetraen-2-ylmethyl)-8-quinoxalin-2-yl-2,8-diazaspiro[4.5]decan-1-one.
What is the SMILES notation for 2-(7-azabicyclo[4.2.0]octa-1,3,5,7-tetraen-2-ylmethyl)-8-quinoxalin-2-yl-2,8-diazaspiro[4.5]decan-1-one?
The canonical SMILES for 2-(7-azabicyclo[4.2.0]octa-1,3,5,7-tetraen-2-ylmethyl)-8-quinoxalin-2-yl-2,8-diazaspiro[4.5]decan-1-one is O=C1N(Cc2cccc3c2C=N3)CCC12CCN(c1cnc3ccccc3n1)CC2.
What is the InChIKey of 2-(7-azabicyclo[4.2.0]octa-1,3,5,7-tetraen-2-ylmethyl)-8-quinoxalin-2-yl-2,8-diazaspiro[4.5]decan-1-one?
The InChIKey is TVCKPCXELGDVPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O/c30-23-24(10-13-29(23)16-17-4-3-7-19-18(17)14-25-19)8-11-28(12-9-24)22-15-26-20-5-1-2-6-21(20)27-22/h1-7,14-15H,8-13,16H2.
What are the key properties of 2-(7-azabicyclo[4.2.0]octa-1,3,5,7-tetraen-2-ylmethyl)-8-quinoxalin-2-yl-2,8-diazaspiro[4.5]decan-1-one?
2-(7-azabicyclo[4.2.0]octa-1,3,5,7-tetraen-2-ylmethyl)-8-quinoxalin-2-yl-2,8-diazaspiro[4.5]decan-1-one has a molecular weight of 397.48 g/mol, XLogP of 3.71, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-azabicyclo[4.2.0]octa-1,3,5,7-tetraen-2-ylmethyl)-8-quinoxalin-2-yl-2,8-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 163984532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).