ethyl 4-(4-fluorophenyl)imidazo[1,2-a]quinoxaline-7-carboxylate

C19H14FN3O2 — CID 4264794

IUPACethyl 4-(4-fluorophenyl)imidazo[1,2-a]quinoxaline-7-carboxylate
SMILESCCOC(=O)c1ccc2c(c1)nc(-c1ccc(F)cc1)c1nccn12
InChIInChI=1S/C19H14FN3O2/c1-2-25-19(24)13-5-8-16-15(11-13)22-17(18-21-9-10-23(16)18)12-3-6-14(20)7-4-12/h3-11H,2H2,1H3
InChIKeyUYMZHMLAYWPWIC-UHFFFAOYSA-N
MW335.34 g/mol
LogP3.87
Rot. Bonds3

About ethyl 4-(4-fluorophenyl)imidazo[1,2-a]quinoxaline-7-carboxylate

ethyl 4-(4-fluorophenyl)imidazo[1,2-a]quinoxaline-7-carboxylate (PubChem CID 4264794) has the molecular formula C19H14FN3O2 and a molecular weight of 335.34 g/mol. Its IUPAC name is ethyl 4-(4-fluorophenyl)imidazo[1,2-a]quinoxaline-7-carboxylate.

Molecular Properties

Compound Nameethyl 4-(4-fluorophenyl)imidazo[1,2-a]quinoxaline-7-carboxylate
PubChem CID4264794
Molecular FormulaC19H14FN3O2
Molecular Weight335.34 g/mol
Exact Mass335.11
IUPAC Nameethyl 4-(4-fluorophenyl)imidazo[1,2-a]quinoxaline-7-carboxylate
SMILESCCOC(=O)c1ccc2c(c1)nc(-c1ccc(F)cc1)c1nccn12
InChIInChI=1S/C19H14FN3O2/c1-2-25-19(24)13-5-8-16-15(11-13)22-17(18-21-9-10-23(16)18)12-3-6-14(20)7-4-12/h3-11H,2H2,1H3
InChIKeyUYMZHMLAYWPWIC-UHFFFAOYSA-N
XLogP3.87
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.34
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Brd4770
CID 72193870
ethyl 2-[4-(1-piperidyl)phenyl]-1H-benzimidazole-5-carboxylate
CID 126720627
Methyl 1-phenyl-1H-benzo[d]imidazole-5-carboxylate
CID 5328469
4-(5-Pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)benzoic acid
CID 146315981
Methyl 4-(7-fluoro-6-pyridin-4-ylbenzimidazol-1-yl)benzoate
CID 146316027
Ethyl 1-ethyl-2-methyl-1H-benzimidazole-5-carboxylate
CID 690728
Methyl 4-(benzimidazol-1-yl)benzoate
CID 5328451
1-Phenyl-1H-benzoimidazole-5-carboxylic acid
CID 5328468
Imidazo[1,2-a]pyridine-6-carboxylic acid, 2-(3-aminophenyl)-, methyl ester
CID 3845864
Ethyl 3-phenylquinoxaline-6-carboxylate
CID 4641052
Ethyl 1-ethyl-2-pyridin-2-ylbenzimidazole-5-carboxylate
CID 4782702
4-(2-Quinoxalinylamino)benzoic acid ethyl ester
CID 1482857

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(4-fluorophenyl)imidazo[1,2-a]quinoxaline-7-carboxylate?
The IUPAC name of ethyl 4-(4-fluorophenyl)imidazo[1,2-a]quinoxaline-7-carboxylate (CID 4264794) is ethyl 4-(4-fluorophenyl)imidazo[1,2-a]quinoxaline-7-carboxylate.
What is the SMILES notation for ethyl 4-(4-fluorophenyl)imidazo[1,2-a]quinoxaline-7-carboxylate?
The canonical SMILES for ethyl 4-(4-fluorophenyl)imidazo[1,2-a]quinoxaline-7-carboxylate is CCOC(=O)c1ccc2c(c1)nc(-c1ccc(F)cc1)c1nccn12.
What is the InChIKey of ethyl 4-(4-fluorophenyl)imidazo[1,2-a]quinoxaline-7-carboxylate?
The InChIKey is UYMZHMLAYWPWIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14FN3O2/c1-2-25-19(24)13-5-8-16-15(11-13)22-17(18-21-9-10-23(16)18)12-3-6-14(20)7-4-12/h3-11H,2H2,1H3.
What are the key properties of ethyl 4-(4-fluorophenyl)imidazo[1,2-a]quinoxaline-7-carboxylate?
ethyl 4-(4-fluorophenyl)imidazo[1,2-a]quinoxaline-7-carboxylate has a molecular weight of 335.34 g/mol, XLogP of 3.87, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(4-fluorophenyl)imidazo[1,2-a]quinoxaline-7-carboxylate is sourced from PubChem (CID 4264794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).