2-(3-phenylpropyl)-8-quinoxalin-2-yl-2,8-diazaspiro[4.5]decan-3-one

C25H28N4O — CID 72854437

IUPAC2-(3-phenylpropyl)-8-quinoxalin-2-yl-2,8-diazaspiro[4.5]decan-3-one
SMILESO=C1CC2(CCN(c3cnc4ccccc4n3)CC2)CN1CCCc1ccccc1
InChIInChI=1S/C25H28N4O/c30-24-17-25(19-29(24)14-6-9-20-7-2-1-3-8-20)12-15-28(16-13-25)23-18-26-21-10-4-5-11-22(21)27-23/h1-5,7-8,10-11,18H,6,9,12-17,19H2
InChIKeyBBXAEXRPUYGPFF-UHFFFAOYSA-N
MW400.53 g/mol
LogP4.08
Rot. Bonds5

About 2-(3-phenylpropyl)-8-quinoxalin-2-yl-2,8-diazaspiro[4.5]decan-3-one

2-(3-phenylpropyl)-8-quinoxalin-2-yl-2,8-diazaspiro[4.5]decan-3-one (PubChem CID 72854437) has the molecular formula C25H28N4O and a molecular weight of 400.53 g/mol. Its IUPAC name is 2-(3-phenylpropyl)-8-quinoxalin-2-yl-2,8-diazaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name2-(3-phenylpropyl)-8-quinoxalin-2-yl-2,8-diazaspiro[4.5]decan-3-one
PubChem CID72854437
Molecular FormulaC25H28N4O
Molecular Weight400.53 g/mol
Exact Mass400.23
IUPAC Name2-(3-phenylpropyl)-8-quinoxalin-2-yl-2,8-diazaspiro[4.5]decan-3-one
SMILESO=C1CC2(CCN(c3cnc4ccccc4n3)CC2)CN1CCCc1ccccc1
InChIInChI=1S/C25H28N4O/c30-24-17-25(19-29(24)14-6-9-20-7-2-1-3-8-20)12-15-28(16-13-25)23-18-26-21-10-4-5-11-22(21)27-23/h1-5,7-8,10-11,18H,6,9,12-17,19H2
InChIKeyBBXAEXRPUYGPFF-UHFFFAOYSA-N
XLogP4.08
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.53
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-phenylpropyl)-8-quinoxalin-2-yl-2,8-diazaspiro[4.5]decan-3-one?
The IUPAC name of 2-(3-phenylpropyl)-8-quinoxalin-2-yl-2,8-diazaspiro[4.5]decan-3-one (CID 72854437) is 2-(3-phenylpropyl)-8-quinoxalin-2-yl-2,8-diazaspiro[4.5]decan-3-one.
What is the SMILES notation for 2-(3-phenylpropyl)-8-quinoxalin-2-yl-2,8-diazaspiro[4.5]decan-3-one?
The canonical SMILES for 2-(3-phenylpropyl)-8-quinoxalin-2-yl-2,8-diazaspiro[4.5]decan-3-one is O=C1CC2(CCN(c3cnc4ccccc4n3)CC2)CN1CCCc1ccccc1.
What is the InChIKey of 2-(3-phenylpropyl)-8-quinoxalin-2-yl-2,8-diazaspiro[4.5]decan-3-one?
The InChIKey is BBXAEXRPUYGPFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O/c30-24-17-25(19-29(24)14-6-9-20-7-2-1-3-8-20)12-15-28(16-13-25)23-18-26-21-10-4-5-11-22(21)27-23/h1-5,7-8,10-11,18H,6,9,12-17,19H2.
What are the key properties of 2-(3-phenylpropyl)-8-quinoxalin-2-yl-2,8-diazaspiro[4.5]decan-3-one?
2-(3-phenylpropyl)-8-quinoxalin-2-yl-2,8-diazaspiro[4.5]decan-3-one has a molecular weight of 400.53 g/mol, XLogP of 4.08, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-phenylpropyl)-8-quinoxalin-2-yl-2,8-diazaspiro[4.5]decan-3-one is sourced from PubChem (CID 72854437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).