ethyl 6,8-bis(trifluoromethyl)imidazo[1,2-a]quinoline-2-carboxylate

C16H10F6N2O2 — CID 86732493

IUPACethyl 6,8-bis(trifluoromethyl)imidazo[1,2-a]quinoline-2-carboxylate
SMILESCCOC(=O)c1cn2c(ccc3c(C(F)(F)F)cc(C(F)(F)F)cc32)n1
InChIInChI=1S/C16H10F6N2O2/c1-2-26-14(25)11-7-24-12-6-8(15(17,18)19)5-10(16(20,21)22)9(12)3-4-13(24)23-11/h3-7H,2H2,1H3
InChIKeyLVHCUIYKJWHDGX-UHFFFAOYSA-N
MW376.26 g/mol
LogP4.70
Rot. Bonds2

About ethyl 6,8-bis(trifluoromethyl)imidazo[1,2-a]quinoline-2-carboxylate

ethyl 6,8-bis(trifluoromethyl)imidazo[1,2-a]quinoline-2-carboxylate (PubChem CID 86732493) has the molecular formula C16H10F6N2O2 and a molecular weight of 376.26 g/mol. Its IUPAC name is ethyl 6,8-bis(trifluoromethyl)imidazo[1,2-a]quinoline-2-carboxylate.

Molecular Properties

Compound Nameethyl 6,8-bis(trifluoromethyl)imidazo[1,2-a]quinoline-2-carboxylate
PubChem CID86732493
Molecular FormulaC16H10F6N2O2
Molecular Weight376.26 g/mol
Exact Mass376.06
IUPAC Nameethyl 6,8-bis(trifluoromethyl)imidazo[1,2-a]quinoline-2-carboxylate
SMILESCCOC(=O)c1cn2c(ccc3c(C(F)(F)F)cc(C(F)(F)F)cc32)n1
InChIInChI=1S/C16H10F6N2O2/c1-2-26-14(25)11-7-24-12-6-8(15(17,18)19)5-10(16(20,21)22)9(12)3-4-13(24)23-11/h3-7H,2H2,1H3
InChIKeyLVHCUIYKJWHDGX-UHFFFAOYSA-N
XLogP4.70
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.26
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 6,8-bis(trifluoromethyl)imidazo[1,2-a]quinoline-2-carboxylate?
The IUPAC name of ethyl 6,8-bis(trifluoromethyl)imidazo[1,2-a]quinoline-2-carboxylate (CID 86732493) is ethyl 6,8-bis(trifluoromethyl)imidazo[1,2-a]quinoline-2-carboxylate.
What is the SMILES notation for ethyl 6,8-bis(trifluoromethyl)imidazo[1,2-a]quinoline-2-carboxylate?
The canonical SMILES for ethyl 6,8-bis(trifluoromethyl)imidazo[1,2-a]quinoline-2-carboxylate is CCOC(=O)c1cn2c(ccc3c(C(F)(F)F)cc(C(F)(F)F)cc32)n1.
What is the InChIKey of ethyl 6,8-bis(trifluoromethyl)imidazo[1,2-a]quinoline-2-carboxylate?
The InChIKey is LVHCUIYKJWHDGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10F6N2O2/c1-2-26-14(25)11-7-24-12-6-8(15(17,18)19)5-10(16(20,21)22)9(12)3-4-13(24)23-11/h3-7H,2H2,1H3.
What are the key properties of ethyl 6,8-bis(trifluoromethyl)imidazo[1,2-a]quinoline-2-carboxylate?
ethyl 6,8-bis(trifluoromethyl)imidazo[1,2-a]quinoline-2-carboxylate has a molecular weight of 376.26 g/mol, XLogP of 4.70, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6,8-bis(trifluoromethyl)imidazo[1,2-a]quinoline-2-carboxylate is sourced from PubChem (CID 86732493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).