2-[2-(1H-imidazol-5-yl)ethyl]-9-quinoxalin-2-yl-2,9-diazaspiro[5.5]undecan-3-one

C22H26N6O — CID 70759551

IUPAC2-[2-(1H-imidazol-5-yl)ethyl]-9-quinoxalin-2-yl-2,9-diazaspiro[5.5]undecan-3-one
SMILESO=C1CCC2(CCN(c3cnc4ccccc4n3)CC2)CN1CCc1cnc[nH]1
InChIInChI=1S/C22H26N6O/c29-21-5-7-22(15-28(21)10-6-17-13-23-16-25-17)8-11-27(12-9-22)20-14-24-18-3-1-2-4-19(18)26-20/h1-4,13-14,16H,5-12,15H2,(H,23,25)
InChIKeyZSTRXHONYUUFCK-UHFFFAOYSA-N
MW390.49 g/mol
LogP2.80
Rot. Bonds4

About 2-[2-(1H-imidazol-5-yl)ethyl]-9-quinoxalin-2-yl-2,9-diazaspiro[5.5]undecan-3-one

2-[2-(1H-imidazol-5-yl)ethyl]-9-quinoxalin-2-yl-2,9-diazaspiro[5.5]undecan-3-one (PubChem CID 70759551) has the molecular formula C22H26N6O and a molecular weight of 390.49 g/mol. Its IUPAC name is 2-[2-(1H-imidazol-5-yl)ethyl]-9-quinoxalin-2-yl-2,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name2-[2-(1H-imidazol-5-yl)ethyl]-9-quinoxalin-2-yl-2,9-diazaspiro[5.5]undecan-3-one
PubChem CID70759551
Molecular FormulaC22H26N6O
Molecular Weight390.49 g/mol
Exact Mass390.22
IUPAC Name2-[2-(1H-imidazol-5-yl)ethyl]-9-quinoxalin-2-yl-2,9-diazaspiro[5.5]undecan-3-one
SMILESO=C1CCC2(CCN(c3cnc4ccccc4n3)CC2)CN1CCc1cnc[nH]1
InChIInChI=1S/C22H26N6O/c29-21-5-7-22(15-28(21)10-6-17-13-23-16-25-17)8-11-27(12-9-22)20-14-24-18-3-1-2-4-19(18)26-20/h1-4,13-14,16H,5-12,15H2,(H,23,25)
InChIKeyZSTRXHONYUUFCK-UHFFFAOYSA-N
XLogP2.80
TPSA78.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(1H-imidazol-5-yl)ethyl]-9-(6-methylpyrimidin-4-yl)-2,9-diazaspiro[5.5]undecan-3-one
CID 70777393
2-(pyridin-3-ylmethyl)-9-quinoxalin-2-yl-2,9-diazaspiro[5.5]undecan-3-one
CID 70779359
2-[2-(1H-imidazol-5-yl)ethyl]-9-[(2S)-2-phenylpropyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 97140921
2-(3-phenylpropyl)-8-quinoxalin-2-yl-2,8-diazaspiro[4.5]decan-3-one
CID 72854437
2-[2-(1H-imidazol-5-yl)ethyl]-9-(5-propyl-1,3,4-thiadiazol-2-yl)-2,9-diazaspiro[5.5]undecan-3-one
CID 70721194
9-[(5-ethyl-2-pyridinyl)methyl]-2-[2-(1H-imidazol-5-yl)ethyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 70758505
2-[2-(1H-imidazol-5-yl)ethyl]-9-[2-(2-methylphenyl)acetyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 72870215
9-(5-ethyl-1,3-oxazole-4-carbonyl)-2-[2-(1H-imidazol-5-yl)ethyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 72839531
2-[2-(1H-imidazol-5-yl)ethyl]-8-pyrazin-2-yl-2,8-diazaspiro[5.5]undecan-3-one
CID 70750354
9-(3-hydroxybenzoyl)-2-[2-(1H-imidazol-5-yl)ethyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 72903406
2-(3-methylbutyl)-8-quinoxalin-2-yl-2,8-diazaspiro[5.5]undecan-3-one
CID 70785136
(6S)-8-(5-ethyl-2-methylpyrimidin-4-yl)-2-[2-(1H-imidazol-5-yl)ethyl]-2,8-diazaspiro[5.5]undecan-3-one
CID 97115766

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1H-imidazol-5-yl)ethyl]-9-quinoxalin-2-yl-2,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 2-[2-(1H-imidazol-5-yl)ethyl]-9-quinoxalin-2-yl-2,9-diazaspiro[5.5]undecan-3-one (CID 70759551) is 2-[2-(1H-imidazol-5-yl)ethyl]-9-quinoxalin-2-yl-2,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 2-[2-(1H-imidazol-5-yl)ethyl]-9-quinoxalin-2-yl-2,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 2-[2-(1H-imidazol-5-yl)ethyl]-9-quinoxalin-2-yl-2,9-diazaspiro[5.5]undecan-3-one is O=C1CCC2(CCN(c3cnc4ccccc4n3)CC2)CN1CCc1cnc[nH]1.
What is the InChIKey of 2-[2-(1H-imidazol-5-yl)ethyl]-9-quinoxalin-2-yl-2,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is ZSTRXHONYUUFCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N6O/c29-21-5-7-22(15-28(21)10-6-17-13-23-16-25-17)8-11-27(12-9-22)20-14-24-18-3-1-2-4-19(18)26-20/h1-4,13-14,16H,5-12,15H2,(H,23,25).
What are the key properties of 2-[2-(1H-imidazol-5-yl)ethyl]-9-quinoxalin-2-yl-2,9-diazaspiro[5.5]undecan-3-one?
2-[2-(1H-imidazol-5-yl)ethyl]-9-quinoxalin-2-yl-2,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 390.49 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1H-imidazol-5-yl)ethyl]-9-quinoxalin-2-yl-2,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 70759551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).