2-(1H-indol-4-ylmethyl)-9-quinoxalin-2-yl-2,9-diazaspiro[5.5]undecan-1-one

C26H27N5O — CID 53259112

IUPAC2-(1H-indol-4-ylmethyl)-9-quinoxalin-2-yl-2,9-diazaspiro[5.5]undecan-1-one
SMILESO=C1N(Cc2cccc3[nH]ccc23)CCCC12CCN(c1cnc3ccccc3n1)CC2
InChIInChI=1S/C26H27N5O/c32-25-26(10-4-14-31(25)18-19-5-3-8-21-20(19)9-13-27-21)11-15-30(16-12-26)24-17-28-22-6-1-2-7-23(22)29-24/h1-3,5-9,13,17,27H,4,10-12,14-16,18H2
InChIKeyDCKAOKXRHCMSPN-UHFFFAOYSA-N
MW425.54 g/mol
LogP4.52
Rot. Bonds3

About 2-(1H-indol-4-ylmethyl)-9-quinoxalin-2-yl-2,9-diazaspiro[5.5]undecan-1-one

2-(1H-indol-4-ylmethyl)-9-quinoxalin-2-yl-2,9-diazaspiro[5.5]undecan-1-one (PubChem CID 53259112) has the molecular formula C26H27N5O and a molecular weight of 425.54 g/mol. Its IUPAC name is 2-(1H-indol-4-ylmethyl)-9-quinoxalin-2-yl-2,9-diazaspiro[5.5]undecan-1-one.

Molecular Properties

Compound Name2-(1H-indol-4-ylmethyl)-9-quinoxalin-2-yl-2,9-diazaspiro[5.5]undecan-1-one
PubChem CID53259112
Molecular FormulaC26H27N5O
Molecular Weight425.54 g/mol
Exact Mass425.22
IUPAC Name2-(1H-indol-4-ylmethyl)-9-quinoxalin-2-yl-2,9-diazaspiro[5.5]undecan-1-one
SMILESO=C1N(Cc2cccc3[nH]ccc23)CCCC12CCN(c1cnc3ccccc3n1)CC2
InChIInChI=1S/C26H27N5O/c32-25-26(10-4-14-31(25)18-19-5-3-8-21-20(19)9-13-27-21)11-15-30(16-12-26)24-17-28-22-6-1-2-7-23(22)29-24/h1-3,5-9,13,17,27H,4,10-12,14-16,18H2
InChIKeyDCKAOKXRHCMSPN-UHFFFAOYSA-N
XLogP4.52
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.54
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1H-indol-4-ylmethyl)-9-quinoxalin-2-yl-2,9-diazaspiro[5.5]undecan-1-one?
The IUPAC name of 2-(1H-indol-4-ylmethyl)-9-quinoxalin-2-yl-2,9-diazaspiro[5.5]undecan-1-one (CID 53259112) is 2-(1H-indol-4-ylmethyl)-9-quinoxalin-2-yl-2,9-diazaspiro[5.5]undecan-1-one.
What is the SMILES notation for 2-(1H-indol-4-ylmethyl)-9-quinoxalin-2-yl-2,9-diazaspiro[5.5]undecan-1-one?
The canonical SMILES for 2-(1H-indol-4-ylmethyl)-9-quinoxalin-2-yl-2,9-diazaspiro[5.5]undecan-1-one is O=C1N(Cc2cccc3[nH]ccc23)CCCC12CCN(c1cnc3ccccc3n1)CC2.
What is the InChIKey of 2-(1H-indol-4-ylmethyl)-9-quinoxalin-2-yl-2,9-diazaspiro[5.5]undecan-1-one?
The InChIKey is DCKAOKXRHCMSPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N5O/c32-25-26(10-4-14-31(25)18-19-5-3-8-21-20(19)9-13-27-21)11-15-30(16-12-26)24-17-28-22-6-1-2-7-23(22)29-24/h1-3,5-9,13,17,27H,4,10-12,14-16,18H2.
What are the key properties of 2-(1H-indol-4-ylmethyl)-9-quinoxalin-2-yl-2,9-diazaspiro[5.5]undecan-1-one?
2-(1H-indol-4-ylmethyl)-9-quinoxalin-2-yl-2,9-diazaspiro[5.5]undecan-1-one has a molecular weight of 425.54 g/mol, XLogP of 4.52, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-indol-4-ylmethyl)-9-quinoxalin-2-yl-2,9-diazaspiro[5.5]undecan-1-one is sourced from PubChem (CID 53259112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).