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

C18H14FN3O2 — CID 10496133

IUPACmethyl 3-(4-fluorophenyl)-4H-imidazo[1,5-a]quinoxaline-5-carboxylate
SMILESCOC(=O)N1Cc2c(-c3ccc(F)cc3)ncn2-c2ccccc21
InChIInChI=1S/C18H14FN3O2/c1-24-18(23)21-10-16-17(12-6-8-13(19)9-7-12)20-11-22(16)15-5-3-2-4-14(15)21/h2-9,11H,10H2,1H3
InChIKeyKSYWFVDALZTWHW-UHFFFAOYSA-N
MW323.33 g/mol
LogP3.76
Rot. Bonds1

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

methyl 3-(4-fluorophenyl)-4H-imidazo[1,5-a]quinoxaline-5-carboxylate (PubChem CID 10496133) has the molecular formula C18H14FN3O2 and a molecular weight of 323.33 g/mol. Its IUPAC name is methyl 3-(4-fluorophenyl)-4H-imidazo[1,5-a]quinoxaline-5-carboxylate.

Molecular Properties

Compound Namemethyl 3-(4-fluorophenyl)-4H-imidazo[1,5-a]quinoxaline-5-carboxylate
PubChem CID10496133
Molecular FormulaC18H14FN3O2
Molecular Weight323.33 g/mol
Exact Mass323.11
IUPAC Namemethyl 3-(4-fluorophenyl)-4H-imidazo[1,5-a]quinoxaline-5-carboxylate
SMILESCOC(=O)N1Cc2c(-c3ccc(F)cc3)ncn2-c2ccccc21
InChIInChI=1S/C18H14FN3O2/c1-24-18(23)21-10-16-17(12-6-8-13(19)9-7-12)20-11-22(16)15-5-3-2-4-14(15)21/h2-9,11H,10H2,1H3
InChIKeyKSYWFVDALZTWHW-UHFFFAOYSA-N
XLogP3.76
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.33
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 3-(4-fluorophenyl)-4H-imidazo[1,5-a]quinoxaline-5-carboxylate?
The IUPAC name of methyl 3-(4-fluorophenyl)-4H-imidazo[1,5-a]quinoxaline-5-carboxylate (CID 10496133) is methyl 3-(4-fluorophenyl)-4H-imidazo[1,5-a]quinoxaline-5-carboxylate.
What is the SMILES notation for methyl 3-(4-fluorophenyl)-4H-imidazo[1,5-a]quinoxaline-5-carboxylate?
The canonical SMILES for methyl 3-(4-fluorophenyl)-4H-imidazo[1,5-a]quinoxaline-5-carboxylate is COC(=O)N1Cc2c(-c3ccc(F)cc3)ncn2-c2ccccc21.
What is the InChIKey of methyl 3-(4-fluorophenyl)-4H-imidazo[1,5-a]quinoxaline-5-carboxylate?
The InChIKey is KSYWFVDALZTWHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FN3O2/c1-24-18(23)21-10-16-17(12-6-8-13(19)9-7-12)20-11-22(16)15-5-3-2-4-14(15)21/h2-9,11H,10H2,1H3.
What are the key properties of methyl 3-(4-fluorophenyl)-4H-imidazo[1,5-a]quinoxaline-5-carboxylate?
methyl 3-(4-fluorophenyl)-4H-imidazo[1,5-a]quinoxaline-5-carboxylate has a molecular weight of 323.33 g/mol, XLogP of 3.76, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(4-fluorophenyl)-4H-imidazo[1,5-a]quinoxaline-5-carboxylate is sourced from PubChem (CID 10496133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).