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

C26H29N5 — CID 141302763

IUPAC2-(1H-indol-2-ylmethyl)-9-quinoxalin-2-yl-2,9-diazaspiro[5.5]undecane
SMILESc1ccc2[nH]c(CN3CCCC4(CCN(c5cnc6ccccc6n5)CC4)C3)cc2c1
InChIInChI=1S/C26H29N5/c1-2-7-22-20(6-1)16-21(28-22)18-30-13-5-10-26(19-30)11-14-31(15-12-26)25-17-27-23-8-3-4-9-24(23)29-25/h1-4,6-9,16-17,28H,5,10-15,18-19H2
InChIKeyYRKOCPDFZLSDRP-UHFFFAOYSA-N
MW411.55 g/mol
LogP4.99
Rot. Bonds3

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

2-(1H-indol-2-ylmethyl)-9-quinoxalin-2-yl-2,9-diazaspiro[5.5]undecane (PubChem CID 141302763) has the molecular formula C26H29N5 and a molecular weight of 411.55 g/mol. Its IUPAC name is 2-(1H-indol-2-ylmethyl)-9-quinoxalin-2-yl-2,9-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name2-(1H-indol-2-ylmethyl)-9-quinoxalin-2-yl-2,9-diazaspiro[5.5]undecane
PubChem CID141302763
Molecular FormulaC26H29N5
Molecular Weight411.55 g/mol
Exact Mass411.24
IUPAC Name2-(1H-indol-2-ylmethyl)-9-quinoxalin-2-yl-2,9-diazaspiro[5.5]undecane
SMILESc1ccc2[nH]c(CN3CCCC4(CCN(c5cnc6ccccc6n5)CC4)C3)cc2c1
InChIInChI=1S/C26H29N5/c1-2-7-22-20(6-1)16-21(28-22)18-30-13-5-10-26(19-30)11-14-31(15-12-26)25-17-27-23-8-3-4-9-24(23)29-25/h1-4,6-9,16-17,28H,5,10-15,18-19H2
InChIKeyYRKOCPDFZLSDRP-UHFFFAOYSA-N
XLogP4.99
TPSA48.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.55
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(1H-indol-2-ylmethyl)-9-quinoxalin-2-yl-2,9-diazaspiro[5.5]undecane with MolForge

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Related Compounds

1'-(1H-indol-2-ylmethyl)spiro[1H-indole-3,3'-piperidine]-2-one
CID 56910560
2-[2-(1H-imidazol-5-yl)ethyl]-9-quinoxalin-2-yl-2,9-diazaspiro[5.5]undecan-3-one
CID 70759551
(5R)-9-quinoxalin-2-yl-1-oxa-3,9-diazaspiro[4.6]undecan-2-one
CID 95716878
2-(pyridin-3-ylmethyl)-9-quinoxalin-2-yl-2,9-diazaspiro[5.5]undecan-3-one
CID 70779359
9-[(2-methyl-1H-imidazol-5-yl)methyl]-4-quinoxalin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane
CID 131905202
2-[(4-pyridin-4-ylpiperazin-1-yl)methyl]-1H-indole
CID 76995991
4-(4-fluorophenyl)-1-quinoxalin-2-ylpiperidin-4-ol
CID 155263860
1-(1H-indol-2-ylmethyl)-4-pyridin-4-ylpiperidin-4-ol
CID 156898163
9-(4,5-dimethylpyrimidin-2-yl)-2-(1H-indol-3-ylmethyl)-2,9-diazaspiro[5.5]undecane
CID 67516580
2-(5-azaspiro[2.5]octan-5-yl)-1H-benzimidazole
CID 133481137
2-(3-phenylpropyl)-8-quinoxalin-2-yl-2,8-diazaspiro[4.5]decan-3-one
CID 72854437
2-(4-hydroxypiperazin-1-yl)quinoxaline
CID 46878257

Frequently Asked Questions

What is the IUPAC name of 2-(1H-indol-2-ylmethyl)-9-quinoxalin-2-yl-2,9-diazaspiro[5.5]undecane?
The IUPAC name of 2-(1H-indol-2-ylmethyl)-9-quinoxalin-2-yl-2,9-diazaspiro[5.5]undecane (CID 141302763) is 2-(1H-indol-2-ylmethyl)-9-quinoxalin-2-yl-2,9-diazaspiro[5.5]undecane.
What is the SMILES notation for 2-(1H-indol-2-ylmethyl)-9-quinoxalin-2-yl-2,9-diazaspiro[5.5]undecane?
The canonical SMILES for 2-(1H-indol-2-ylmethyl)-9-quinoxalin-2-yl-2,9-diazaspiro[5.5]undecane is c1ccc2[nH]c(CN3CCCC4(CCN(c5cnc6ccccc6n5)CC4)C3)cc2c1.
What is the InChIKey of 2-(1H-indol-2-ylmethyl)-9-quinoxalin-2-yl-2,9-diazaspiro[5.5]undecane?
The InChIKey is YRKOCPDFZLSDRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N5/c1-2-7-22-20(6-1)16-21(28-22)18-30-13-5-10-26(19-30)11-14-31(15-12-26)25-17-27-23-8-3-4-9-24(23)29-25/h1-4,6-9,16-17,28H,5,10-15,18-19H2.
What are the key properties of 2-(1H-indol-2-ylmethyl)-9-quinoxalin-2-yl-2,9-diazaspiro[5.5]undecane?
2-(1H-indol-2-ylmethyl)-9-quinoxalin-2-yl-2,9-diazaspiro[5.5]undecane has a molecular weight of 411.55 g/mol, XLogP of 4.99, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-indol-2-ylmethyl)-9-quinoxalin-2-yl-2,9-diazaspiro[5.5]undecane is sourced from PubChem (CID 141302763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).