5-(oxolan-2-ylmethyl)-3-[4-(oxolan-2-ylmethyl)triazol-1-yl]imidazo[1,5-a]quinoxalin-4-one

C22H24N6O3 — CID 67887298

IUPAC5-(oxolan-2-ylmethyl)-3-[4-(oxolan-2-ylmethyl)triazol-1-yl]imidazo[1,5-a]quinoxalin-4-one
SMILESO=c1c2c(-n3cc(CC4CCCO4)nn3)ncn2c2ccccc2n1CC1CCCO1
InChIInChI=1S/C22H24N6O3/c29-22-20-21(28-12-15(24-25-28)11-16-5-3-9-30-16)23-14-27(20)19-8-2-1-7-18(19)26(22)13-17-6-4-10-31-17/h1-2,7-8,12,14,16-17H,3-6,9-11,13H2
InChIKeyCGJSPZJEFJUFHW-UHFFFAOYSA-N
MW420.47 g/mol
LogP2.13
Rot. Bonds5

About 5-(oxolan-2-ylmethyl)-3-[4-(oxolan-2-ylmethyl)triazol-1-yl]imidazo[1,5-a]quinoxalin-4-one

5-(oxolan-2-ylmethyl)-3-[4-(oxolan-2-ylmethyl)triazol-1-yl]imidazo[1,5-a]quinoxalin-4-one (PubChem CID 67887298) has the molecular formula C22H24N6O3 and a molecular weight of 420.47 g/mol. Its IUPAC name is 5-(oxolan-2-ylmethyl)-3-[4-(oxolan-2-ylmethyl)triazol-1-yl]imidazo[1,5-a]quinoxalin-4-one.

Molecular Properties

Compound Name5-(oxolan-2-ylmethyl)-3-[4-(oxolan-2-ylmethyl)triazol-1-yl]imidazo[1,5-a]quinoxalin-4-one
PubChem CID67887298
Molecular FormulaC22H24N6O3
Molecular Weight420.47 g/mol
Exact Mass420.19
IUPAC Name5-(oxolan-2-ylmethyl)-3-[4-(oxolan-2-ylmethyl)triazol-1-yl]imidazo[1,5-a]quinoxalin-4-one
SMILESO=c1c2c(-n3cc(CC4CCCO4)nn3)ncn2c2ccccc2n1CC1CCCO1
InChIInChI=1S/C22H24N6O3/c29-22-20-21(28-12-15(24-25-28)11-16-5-3-9-30-16)23-14-27(20)19-8-2-1-7-18(19)26(22)13-17-6-4-10-31-17/h1-2,7-8,12,14,16-17H,3-6,9-11,13H2
InChIKeyCGJSPZJEFJUFHW-UHFFFAOYSA-N
XLogP2.13
TPSA88.47 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.47
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 5-(oxolan-2-ylmethyl)-3-[4-(oxolan-2-ylmethyl)triazol-1-yl]imidazo[1,5-a]quinoxalin-4-one with MolForge

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Related Compounds

3-[4-(oxolan-2-ylmethyl)triazol-1-yl]-5-propan-2-ylimidazo[1,5-a]quinoxalin-4-one
CID 67886590
3-[4-(1-aminocyclopropyl)triazol-1-yl]-5-(oxolan-2-ylmethyl)imidazo[1,5-a]quinoxalin-4-one
CID 67886900
3-[4-(1-aminocyclopropyl)triazol-1-yl]-5-(oxan-2-ylmethyl)imidazo[1,5-a]quinoxalin-4-one
CID 67886659
3-[4-(2-methylcyclopropyl)triazol-1-yl]-5-(oxan-2-ylmethyl)imidazo[1,5-a]quinoxalin-4-one
CID 67886105
4-methyl-3-[4-(oxolan-2-ylmethyl)triazol-1-yl]imidazo[1,5-a]quinazolin-5-one
CID 67886126
7-fluoro-4-methyl-3-[4-(oxolan-2-ylmethyl)triazol-1-yl]imidazo[1,5-a]quinazolin-5-one
CID 67886082
3-(5-cyclopropyltriazol-1-yl)-7-fluoro-5-(oxan-2-ylmethyl)imidazo[1,5-a]quinoxalin-4-one
CID 67889479
4-methyl-3-[4-(oxolan-2-yl)triazol-1-yl]imidazo[1,5-a]quinazolin-5-one
CID 67887072
6-[[(2S)-oxolan-2-yl]methyl]benzo[d][2]benzazepine-5,7-dione
CID 714785
6-chloro-3-[5-(1-methylcyclopropyl)-1,2,4-oxadiazol-3-yl]-5-(oxolan-2-ylmethyl)imidazo[1,5-a]quinoxalin-4-one
CID 67887304
3-methyl-1-[[(2R)-oxan-2-yl]methyl]quinoxalin-2-one
CID 97196072
3-morpholin-4-yl-1-[[(2S)-oxan-2-yl]methyl]quinoxalin-2-one
CID 94181113

Frequently Asked Questions

What is the IUPAC name of 5-(oxolan-2-ylmethyl)-3-[4-(oxolan-2-ylmethyl)triazol-1-yl]imidazo[1,5-a]quinoxalin-4-one?
The IUPAC name of 5-(oxolan-2-ylmethyl)-3-[4-(oxolan-2-ylmethyl)triazol-1-yl]imidazo[1,5-a]quinoxalin-4-one (CID 67887298) is 5-(oxolan-2-ylmethyl)-3-[4-(oxolan-2-ylmethyl)triazol-1-yl]imidazo[1,5-a]quinoxalin-4-one.
What is the SMILES notation for 5-(oxolan-2-ylmethyl)-3-[4-(oxolan-2-ylmethyl)triazol-1-yl]imidazo[1,5-a]quinoxalin-4-one?
The canonical SMILES for 5-(oxolan-2-ylmethyl)-3-[4-(oxolan-2-ylmethyl)triazol-1-yl]imidazo[1,5-a]quinoxalin-4-one is O=c1c2c(-n3cc(CC4CCCO4)nn3)ncn2c2ccccc2n1CC1CCCO1.
What is the InChIKey of 5-(oxolan-2-ylmethyl)-3-[4-(oxolan-2-ylmethyl)triazol-1-yl]imidazo[1,5-a]quinoxalin-4-one?
The InChIKey is CGJSPZJEFJUFHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N6O3/c29-22-20-21(28-12-15(24-25-28)11-16-5-3-9-30-16)23-14-27(20)19-8-2-1-7-18(19)26(22)13-17-6-4-10-31-17/h1-2,7-8,12,14,16-17H,3-6,9-11,13H2.
What are the key properties of 5-(oxolan-2-ylmethyl)-3-[4-(oxolan-2-ylmethyl)triazol-1-yl]imidazo[1,5-a]quinoxalin-4-one?
5-(oxolan-2-ylmethyl)-3-[4-(oxolan-2-ylmethyl)triazol-1-yl]imidazo[1,5-a]quinoxalin-4-one has a molecular weight of 420.47 g/mol, XLogP of 2.13, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(oxolan-2-ylmethyl)-3-[4-(oxolan-2-ylmethyl)triazol-1-yl]imidazo[1,5-a]quinoxalin-4-one is sourced from PubChem (CID 67887298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).