propan-2-yl 3-(4-fluorophenyl)-4H-imidazo[1,5-a]quinoxaline-5-carboxylate

C20H18FN3O2 — CID 10569930

IUPACpropan-2-yl 3-(4-fluorophenyl)-4H-imidazo[1,5-a]quinoxaline-5-carboxylate
SMILESCC(C)OC(=O)N1Cc2c(-c3ccc(F)cc3)ncn2-c2ccccc21
InChIInChI=1S/C20H18FN3O2/c1-13(2)26-20(25)23-11-18-19(14-7-9-15(21)10-8-14)22-12-24(18)17-6-4-3-5-16(17)23/h3-10,12-13H,11H2,1-2H3
InChIKeyOYJIERYKSJRHCQ-UHFFFAOYSA-N
MW351.38 g/mol
LogP4.54
Rot. Bonds2

About propan-2-yl 3-(4-fluorophenyl)-4H-imidazo[1,5-a]quinoxaline-5-carboxylate

propan-2-yl 3-(4-fluorophenyl)-4H-imidazo[1,5-a]quinoxaline-5-carboxylate (PubChem CID 10569930) has the molecular formula C20H18FN3O2 and a molecular weight of 351.38 g/mol. Its IUPAC name is propan-2-yl 3-(4-fluorophenyl)-4H-imidazo[1,5-a]quinoxaline-5-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 3-(4-fluorophenyl)-4H-imidazo[1,5-a]quinoxaline-5-carboxylate
PubChem CID10569930
Molecular FormulaC20H18FN3O2
Molecular Weight351.38 g/mol
Exact Mass351.14
IUPAC Namepropan-2-yl 3-(4-fluorophenyl)-4H-imidazo[1,5-a]quinoxaline-5-carboxylate
SMILESCC(C)OC(=O)N1Cc2c(-c3ccc(F)cc3)ncn2-c2ccccc21
InChIInChI=1S/C20H18FN3O2/c1-13(2)26-20(25)23-11-18-19(14-7-9-15(21)10-8-14)22-12-24(18)17-6-4-3-5-16(17)23/h3-10,12-13H,11H2,1-2H3
InChIKeyOYJIERYKSJRHCQ-UHFFFAOYSA-N
XLogP4.54
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.38
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-Fluorophenyl)-4,5-dihydro-5-[(pyrrolidino)carbonyl]imidazo[1,5-a]quinoxaline
CID 10570627
(3-phenyl-4H-imidazo[1,5-a]quinoxalin-5-yl)-pyrrolidin-1-ylmethanone
CID 10665138
methyl 3-(4-fluorophenyl)-4H-imidazo[1,5-a]quinoxaline-5-carboxylate
CID 10496133
3-(4-fluorophenyl)-N,N-dimethyl-4H-imidazo[1,5-a]quinoxaline-5-carboxamide
CID 10497081
(3-phenyl-4H-imidazo[1,5-a]quinoxalin-5-yl)-piperidin-1-ylmethanone
CID 10522389
[7-fluoro-3-(4-fluorophenyl)-4H-imidazo[1,5-a]quinoxalin-5-yl]-morpholin-4-ylmethanone
CID 10524781
N,N,4,4-tetramethyl-3-phenylimidazo[1,5-a]quinoxaline-5-carboxamide
CID 10545553
N,N-dimethyl-3-phenyl-4H-imidazo[1,5-a]quinoxaline-5-carboxamide
CID 10615510
3-(4-Fluorophenyl)-5-propan-2-ylimidazo[1,5-a]quinoxalin-4-one
CID 10615738
N,N,4,4-tetramethyl-3-(4-methylphenyl)imidazo[1,5-a]quinoxaline-5-carboxamide
CID 10618522
3-(4-fluorophenyl)-4H-imidazo[1,5-a]quinoxaline-5-carboxamide
CID 10638502
3-(4-fluorophenyl)-N,N,4,4-tetramethylimidazo[1,5-a]quinoxaline-5-carboxamide
CID 10666464

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 3-(4-fluorophenyl)-4H-imidazo[1,5-a]quinoxaline-5-carboxylate?
The IUPAC name of propan-2-yl 3-(4-fluorophenyl)-4H-imidazo[1,5-a]quinoxaline-5-carboxylate (CID 10569930) is propan-2-yl 3-(4-fluorophenyl)-4H-imidazo[1,5-a]quinoxaline-5-carboxylate.
What is the SMILES notation for propan-2-yl 3-(4-fluorophenyl)-4H-imidazo[1,5-a]quinoxaline-5-carboxylate?
The canonical SMILES for propan-2-yl 3-(4-fluorophenyl)-4H-imidazo[1,5-a]quinoxaline-5-carboxylate is CC(C)OC(=O)N1Cc2c(-c3ccc(F)cc3)ncn2-c2ccccc21.
What is the InChIKey of propan-2-yl 3-(4-fluorophenyl)-4H-imidazo[1,5-a]quinoxaline-5-carboxylate?
The InChIKey is OYJIERYKSJRHCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN3O2/c1-13(2)26-20(25)23-11-18-19(14-7-9-15(21)10-8-14)22-12-24(18)17-6-4-3-5-16(17)23/h3-10,12-13H,11H2,1-2H3.
What are the key properties of propan-2-yl 3-(4-fluorophenyl)-4H-imidazo[1,5-a]quinoxaline-5-carboxylate?
propan-2-yl 3-(4-fluorophenyl)-4H-imidazo[1,5-a]quinoxaline-5-carboxylate has a molecular weight of 351.38 g/mol, XLogP of 4.54, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 3-(4-fluorophenyl)-4H-imidazo[1,5-a]quinoxaline-5-carboxylate is sourced from PubChem (CID 10569930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).