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

C23H19FN6O2 — CID 67888285

IUPAC3-[3-(2-fluorophenyl)triazol-4-yl]-5-(2-methyloxolan-2-yl)imidazo[1,5-a]quinoxalin-4-one
SMILESCC1(n2c(=O)c3c(-c4cnnn4-c4ccccc4F)ncn3c3ccccc32)CCCO1
InChIInChI=1S/C23H19FN6O2/c1-23(11-6-12-32-23)29-18-10-5-4-9-17(18)28-14-25-20(21(28)22(29)31)19-13-26-27-30(19)16-8-3-2-7-15(16)24/h2-5,7-10,13-14H,6,11-12H2,1H3
InChIKeyCCJHRIBAVUHPGW-UHFFFAOYSA-N
MW430.44 g/mol
LogP3.52
Rot. Bonds3

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

3-[3-(2-fluorophenyl)triazol-4-yl]-5-(2-methyloxolan-2-yl)imidazo[1,5-a]quinoxalin-4-one (PubChem CID 67888285) has the molecular formula C23H19FN6O2 and a molecular weight of 430.44 g/mol. Its IUPAC name is 3-[3-(2-fluorophenyl)triazol-4-yl]-5-(2-methyloxolan-2-yl)imidazo[1,5-a]quinoxalin-4-one.

Molecular Properties

Compound Name3-[3-(2-fluorophenyl)triazol-4-yl]-5-(2-methyloxolan-2-yl)imidazo[1,5-a]quinoxalin-4-one
PubChem CID67888285
Molecular FormulaC23H19FN6O2
Molecular Weight430.44 g/mol
Exact Mass430.16
IUPAC Name3-[3-(2-fluorophenyl)triazol-4-yl]-5-(2-methyloxolan-2-yl)imidazo[1,5-a]quinoxalin-4-one
SMILESCC1(n2c(=O)c3c(-c4cnnn4-c4ccccc4F)ncn3c3ccccc32)CCCO1
InChIInChI=1S/C23H19FN6O2/c1-23(11-6-12-32-23)29-18-10-5-4-9-17(18)28-14-25-20(21(28)22(29)31)19-13-26-27-30(19)16-8-3-2-7-15(16)24/h2-5,7-10,13-14H,6,11-12H2,1H3
InChIKeyCCJHRIBAVUHPGW-UHFFFAOYSA-N
XLogP3.52
TPSA79.24 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.44
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

3-[3-(3-fluorophenyl)triazol-4-yl]-5-(2-methyloxolan-2-yl)imidazo[1,5-a]quinoxalin-4-one
CID 67888177
5-(2-methyloxolan-2-yl)-3-[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]imidazo[1,5-a]quinoxalin-4-one
CID 67886818
3-[3-(2-methoxyphenyl)triazol-4-yl]-5-(2-methyloxolan-3-yl)imidazo[1,5-a]quinoxalin-4-one
CID 67888309
6-chloro-3-[5-(2-methylcyclopropyl)-1,2,4-oxadiazol-3-yl]-5-(2-methyloxolan-2-yl)imidazo[1,5-a]quinoxalin-4-one
CID 67889235
5-chloro-1-(2-fluorophenyl)triazole
CID 115021243
3-(5-tert-butyltriazol-1-yl)-6-fluoro-4-methylimidazo[1,5-a]quinazolin-5-one
CID 56629982
6-fluoro-3-[3-(1-methylcyclopropyl)-1,2,4-oxadiazol-5-yl]-5-(pyridin-2-ylmethyl)imidazo[1,5-a]quinoxalin-4-one
CID 67888733
6-fluoro-3-[5-(1-methylcyclopropyl)-1,2,4-oxadiazol-3-yl]-5-(pyridin-2-ylmethyl)imidazo[1,5-a]quinoxalin-4-one
CID 67886944
3-[5-(1-acetylpyrrolidin-2-yl)triazol-1-yl]-5-propan-2-ylimidazo[1,5-a]quinoxalin-4-one
CID 67887449
5-(2-methoxyethyl)-3-[5-(1-methylpyrrolidin-2-yl)triazol-1-yl]imidazo[1,5-a]quinoxalin-4-one
CID 67886474
3-[5-(cyclopropylmethyl)triazol-1-yl]-6-fluoro-4-methylimidazo[1,5-a]quinazolin-5-one
CID 67886380
3-chloro-1-(2-fluorophenyl)-5-methylpyrazole
CID 59022674

Frequently Asked Questions

What is the IUPAC name of 3-[3-(2-fluorophenyl)triazol-4-yl]-5-(2-methyloxolan-2-yl)imidazo[1,5-a]quinoxalin-4-one?
The IUPAC name of 3-[3-(2-fluorophenyl)triazol-4-yl]-5-(2-methyloxolan-2-yl)imidazo[1,5-a]quinoxalin-4-one (CID 67888285) is 3-[3-(2-fluorophenyl)triazol-4-yl]-5-(2-methyloxolan-2-yl)imidazo[1,5-a]quinoxalin-4-one.
What is the SMILES notation for 3-[3-(2-fluorophenyl)triazol-4-yl]-5-(2-methyloxolan-2-yl)imidazo[1,5-a]quinoxalin-4-one?
The canonical SMILES for 3-[3-(2-fluorophenyl)triazol-4-yl]-5-(2-methyloxolan-2-yl)imidazo[1,5-a]quinoxalin-4-one is CC1(n2c(=O)c3c(-c4cnnn4-c4ccccc4F)ncn3c3ccccc32)CCCO1.
What is the InChIKey of 3-[3-(2-fluorophenyl)triazol-4-yl]-5-(2-methyloxolan-2-yl)imidazo[1,5-a]quinoxalin-4-one?
The InChIKey is CCJHRIBAVUHPGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19FN6O2/c1-23(11-6-12-32-23)29-18-10-5-4-9-17(18)28-14-25-20(21(28)22(29)31)19-13-26-27-30(19)16-8-3-2-7-15(16)24/h2-5,7-10,13-14H,6,11-12H2,1H3.
What are the key properties of 3-[3-(2-fluorophenyl)triazol-4-yl]-5-(2-methyloxolan-2-yl)imidazo[1,5-a]quinoxalin-4-one?
3-[3-(2-fluorophenyl)triazol-4-yl]-5-(2-methyloxolan-2-yl)imidazo[1,5-a]quinoxalin-4-one has a molecular weight of 430.44 g/mol, XLogP of 3.52, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2-fluorophenyl)triazol-4-yl]-5-(2-methyloxolan-2-yl)imidazo[1,5-a]quinoxalin-4-one is sourced from PubChem (CID 67888285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).