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

C24H22N6O3 — CID 67888309

IUPAC3-[3-(2-methoxyphenyl)triazol-4-yl]-5-(2-methyloxolan-3-yl)imidazo[1,5-a]quinoxalin-4-one
SMILESCOc1ccccc1-n1nncc1-c1ncn2c1c(=O)n(C1CCOC1C)c1ccccc12
InChIInChI=1S/C24H22N6O3/c1-15-16(11-12-33-15)29-18-8-4-3-7-17(18)28-14-25-22(23(28)24(29)31)20-13-26-27-30(20)19-9-5-6-10-21(19)32-2/h3-10,13-16H,11-12H2,1-2H3
InChIKeyLQFZUGIZWBIPBW-UHFFFAOYSA-N
MW442.48 g/mol
LogP3.26
Rot. Bonds4

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

3-[3-(2-methoxyphenyl)triazol-4-yl]-5-(2-methyloxolan-3-yl)imidazo[1,5-a]quinoxalin-4-one (PubChem CID 67888309) has the molecular formula C24H22N6O3 and a molecular weight of 442.48 g/mol. Its IUPAC name is 3-[3-(2-methoxyphenyl)triazol-4-yl]-5-(2-methyloxolan-3-yl)imidazo[1,5-a]quinoxalin-4-one.

Molecular Properties

Compound Name3-[3-(2-methoxyphenyl)triazol-4-yl]-5-(2-methyloxolan-3-yl)imidazo[1,5-a]quinoxalin-4-one
PubChem CID67888309
Molecular FormulaC24H22N6O3
Molecular Weight442.48 g/mol
Exact Mass442.18
IUPAC Name3-[3-(2-methoxyphenyl)triazol-4-yl]-5-(2-methyloxolan-3-yl)imidazo[1,5-a]quinoxalin-4-one
SMILESCOc1ccccc1-n1nncc1-c1ncn2c1c(=O)n(C1CCOC1C)c1ccccc12
InChIInChI=1S/C24H22N6O3/c1-15-16(11-12-33-15)29-18-8-4-3-7-17(18)28-14-25-22(23(28)24(29)31)20-13-26-27-30(20)19-9-5-6-10-21(19)32-2/h3-10,13-16H,11-12H2,1-2H3
InChIKeyLQFZUGIZWBIPBW-UHFFFAOYSA-N
XLogP3.26
TPSA88.47 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.48
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(2-methoxyphenyl)triazol-4-yl]-5-(2-methyloxolan-3-yl)imidazo[1,5-a]quinoxalin-4-one?
The IUPAC name of 3-[3-(2-methoxyphenyl)triazol-4-yl]-5-(2-methyloxolan-3-yl)imidazo[1,5-a]quinoxalin-4-one (CID 67888309) is 3-[3-(2-methoxyphenyl)triazol-4-yl]-5-(2-methyloxolan-3-yl)imidazo[1,5-a]quinoxalin-4-one.
What is the SMILES notation for 3-[3-(2-methoxyphenyl)triazol-4-yl]-5-(2-methyloxolan-3-yl)imidazo[1,5-a]quinoxalin-4-one?
The canonical SMILES for 3-[3-(2-methoxyphenyl)triazol-4-yl]-5-(2-methyloxolan-3-yl)imidazo[1,5-a]quinoxalin-4-one is COc1ccccc1-n1nncc1-c1ncn2c1c(=O)n(C1CCOC1C)c1ccccc12.
What is the InChIKey of 3-[3-(2-methoxyphenyl)triazol-4-yl]-5-(2-methyloxolan-3-yl)imidazo[1,5-a]quinoxalin-4-one?
The InChIKey is LQFZUGIZWBIPBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N6O3/c1-15-16(11-12-33-15)29-18-8-4-3-7-17(18)28-14-25-22(23(28)24(29)31)20-13-26-27-30(20)19-9-5-6-10-21(19)32-2/h3-10,13-16H,11-12H2,1-2H3.
What are the key properties of 3-[3-(2-methoxyphenyl)triazol-4-yl]-5-(2-methyloxolan-3-yl)imidazo[1,5-a]quinoxalin-4-one?
3-[3-(2-methoxyphenyl)triazol-4-yl]-5-(2-methyloxolan-3-yl)imidazo[1,5-a]quinoxalin-4-one has a molecular weight of 442.48 g/mol, XLogP of 3.26, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2-methoxyphenyl)triazol-4-yl]-5-(2-methyloxolan-3-yl)imidazo[1,5-a]quinoxalin-4-one is sourced from PubChem (CID 67888309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).