2-(1H-indol-3-ylmethyl)-9-quinoxalin-2-yl-2,9-diazaspiro[4.5]decan-1-one

C25H25N5O — CID 67984473

IUPAC2-(1H-indol-3-ylmethyl)-9-quinoxalin-2-yl-2,9-diazaspiro[4.5]decan-1-one
SMILESO=C1N(Cc2c[nH]c3ccccc23)CCC12CCCN(c1cnc3ccccc3n1)C2
InChIInChI=1S/C25H25N5O/c31-24-25(11-13-29(24)16-18-14-26-20-7-2-1-6-19(18)20)10-5-12-30(17-25)23-15-27-21-8-3-4-9-22(21)28-23/h1-4,6-9,14-15,26H,5,10-13,16-17H2
InChIKeyRXWDGOSLEFIURT-UHFFFAOYSA-N
MW411.51 g/mol
LogP4.13
Rot. Bonds3

About 2-(1H-indol-3-ylmethyl)-9-quinoxalin-2-yl-2,9-diazaspiro[4.5]decan-1-one

2-(1H-indol-3-ylmethyl)-9-quinoxalin-2-yl-2,9-diazaspiro[4.5]decan-1-one (PubChem CID 67984473) has the molecular formula C25H25N5O and a molecular weight of 411.51 g/mol. Its IUPAC name is 2-(1H-indol-3-ylmethyl)-9-quinoxalin-2-yl-2,9-diazaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name2-(1H-indol-3-ylmethyl)-9-quinoxalin-2-yl-2,9-diazaspiro[4.5]decan-1-one
PubChem CID67984473
Molecular FormulaC25H25N5O
Molecular Weight411.51 g/mol
Exact Mass411.21
IUPAC Name2-(1H-indol-3-ylmethyl)-9-quinoxalin-2-yl-2,9-diazaspiro[4.5]decan-1-one
SMILESO=C1N(Cc2c[nH]c3ccccc23)CCC12CCCN(c1cnc3ccccc3n1)C2
InChIInChI=1S/C25H25N5O/c31-24-25(11-13-29(24)16-18-14-26-20-7-2-1-6-19(18)20)10-5-12-30(17-25)23-15-27-21-8-3-4-9-22(21)28-23/h1-4,6-9,14-15,26H,5,10-13,16-17H2
InChIKeyRXWDGOSLEFIURT-UHFFFAOYSA-N
XLogP4.13
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.51
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1H-indol-3-ylmethyl)-9-quinoxalin-2-yl-2,9-diazaspiro[4.5]decan-1-one?
The IUPAC name of 2-(1H-indol-3-ylmethyl)-9-quinoxalin-2-yl-2,9-diazaspiro[4.5]decan-1-one (CID 67984473) is 2-(1H-indol-3-ylmethyl)-9-quinoxalin-2-yl-2,9-diazaspiro[4.5]decan-1-one.
What is the SMILES notation for 2-(1H-indol-3-ylmethyl)-9-quinoxalin-2-yl-2,9-diazaspiro[4.5]decan-1-one?
The canonical SMILES for 2-(1H-indol-3-ylmethyl)-9-quinoxalin-2-yl-2,9-diazaspiro[4.5]decan-1-one is O=C1N(Cc2c[nH]c3ccccc23)CCC12CCCN(c1cnc3ccccc3n1)C2.
What is the InChIKey of 2-(1H-indol-3-ylmethyl)-9-quinoxalin-2-yl-2,9-diazaspiro[4.5]decan-1-one?
The InChIKey is RXWDGOSLEFIURT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N5O/c31-24-25(11-13-29(24)16-18-14-26-20-7-2-1-6-19(18)20)10-5-12-30(17-25)23-15-27-21-8-3-4-9-22(21)28-23/h1-4,6-9,14-15,26H,5,10-13,16-17H2.
What are the key properties of 2-(1H-indol-3-ylmethyl)-9-quinoxalin-2-yl-2,9-diazaspiro[4.5]decan-1-one?
2-(1H-indol-3-ylmethyl)-9-quinoxalin-2-yl-2,9-diazaspiro[4.5]decan-1-one has a molecular weight of 411.51 g/mol, XLogP of 4.13, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-indol-3-ylmethyl)-9-quinoxalin-2-yl-2,9-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 67984473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).