2-[[2-(furan-2-yl)phenyl]methyl]-9-quinoxalin-2-yl-2,9-diazaspiro[5.5]undecan-1-one

C28H28N4O2 — CID 53259294

IUPAC2-[[2-(furan-2-yl)phenyl]methyl]-9-quinoxalin-2-yl-2,9-diazaspiro[5.5]undecan-1-one
SMILESO=C1N(Cc2ccccc2-c2ccco2)CCCC12CCN(c1cnc3ccccc3n1)CC2
InChIInChI=1S/C28H28N4O2/c33-27-28(13-16-31(17-14-28)26-19-29-23-9-3-4-10-24(23)30-26)12-6-15-32(27)20-21-7-1-2-8-22(21)25-11-5-18-34-25/h1-5,7-11,18-19H,6,12-17,20H2
InChIKeyCXETUYDQSRGNBG-UHFFFAOYSA-N
MW452.56 g/mol
LogP5.30
Rot. Bonds4

About 2-[[2-(furan-2-yl)phenyl]methyl]-9-quinoxalin-2-yl-2,9-diazaspiro[5.5]undecan-1-one

2-[[2-(furan-2-yl)phenyl]methyl]-9-quinoxalin-2-yl-2,9-diazaspiro[5.5]undecan-1-one (PubChem CID 53259294) has the molecular formula C28H28N4O2 and a molecular weight of 452.56 g/mol. Its IUPAC name is 2-[[2-(furan-2-yl)phenyl]methyl]-9-quinoxalin-2-yl-2,9-diazaspiro[5.5]undecan-1-one.

Molecular Properties

Compound Name2-[[2-(furan-2-yl)phenyl]methyl]-9-quinoxalin-2-yl-2,9-diazaspiro[5.5]undecan-1-one
PubChem CID53259294
Molecular FormulaC28H28N4O2
Molecular Weight452.56 g/mol
Exact Mass452.22
IUPAC Name2-[[2-(furan-2-yl)phenyl]methyl]-9-quinoxalin-2-yl-2,9-diazaspiro[5.5]undecan-1-one
SMILESO=C1N(Cc2ccccc2-c2ccco2)CCCC12CCN(c1cnc3ccccc3n1)CC2
InChIInChI=1S/C28H28N4O2/c33-27-28(13-16-31(17-14-28)26-19-29-23-9-3-4-10-24(23)30-26)12-6-15-32(27)20-21-7-1-2-8-22(21)25-11-5-18-34-25/h1-5,7-11,18-19H,6,12-17,20H2
InChIKeyCXETUYDQSRGNBG-UHFFFAOYSA-N
XLogP5.30
TPSA62.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.56
LogP ≤ 55.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(furan-2-yl)phenyl]methyl]-9-quinoxalin-2-yl-2,9-diazaspiro[5.5]undecan-1-one?
The IUPAC name of 2-[[2-(furan-2-yl)phenyl]methyl]-9-quinoxalin-2-yl-2,9-diazaspiro[5.5]undecan-1-one (CID 53259294) is 2-[[2-(furan-2-yl)phenyl]methyl]-9-quinoxalin-2-yl-2,9-diazaspiro[5.5]undecan-1-one.
What is the SMILES notation for 2-[[2-(furan-2-yl)phenyl]methyl]-9-quinoxalin-2-yl-2,9-diazaspiro[5.5]undecan-1-one?
The canonical SMILES for 2-[[2-(furan-2-yl)phenyl]methyl]-9-quinoxalin-2-yl-2,9-diazaspiro[5.5]undecan-1-one is O=C1N(Cc2ccccc2-c2ccco2)CCCC12CCN(c1cnc3ccccc3n1)CC2.
What is the InChIKey of 2-[[2-(furan-2-yl)phenyl]methyl]-9-quinoxalin-2-yl-2,9-diazaspiro[5.5]undecan-1-one?
The InChIKey is CXETUYDQSRGNBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N4O2/c33-27-28(13-16-31(17-14-28)26-19-29-23-9-3-4-10-24(23)30-26)12-6-15-32(27)20-21-7-1-2-8-22(21)25-11-5-18-34-25/h1-5,7-11,18-19H,6,12-17,20H2.
What are the key properties of 2-[[2-(furan-2-yl)phenyl]methyl]-9-quinoxalin-2-yl-2,9-diazaspiro[5.5]undecan-1-one?
2-[[2-(furan-2-yl)phenyl]methyl]-9-quinoxalin-2-yl-2,9-diazaspiro[5.5]undecan-1-one has a molecular weight of 452.56 g/mol, XLogP of 5.30, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(furan-2-yl)phenyl]methyl]-9-quinoxalin-2-yl-2,9-diazaspiro[5.5]undecan-1-one is sourced from PubChem (CID 53259294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).