ethyl 8-bromo-5-chloroimidazo[1,2-a]quinoline-2-carboxylate

C14H10BrClN2O2 — CID 12763986

IUPACethyl 8-bromo-5-chloroimidazo[1,2-a]quinoline-2-carboxylate
SMILESCCOC(=O)c1cn2c(cc(Cl)c3ccc(Br)cc32)n1
InChIInChI=1S/C14H10BrClN2O2/c1-2-20-14(19)11-7-18-12-5-8(15)3-4-9(12)10(16)6-13(18)17-11/h3-7H,2H2,1H3
InChIKeyHWHOHGXWZFLLPO-UHFFFAOYSA-N
MW353.60 g/mol
LogP4.08
Rot. Bonds2

About ethyl 8-bromo-5-chloroimidazo[1,2-a]quinoline-2-carboxylate

ethyl 8-bromo-5-chloroimidazo[1,2-a]quinoline-2-carboxylate (PubChem CID 12763986) has the molecular formula C14H10BrClN2O2 and a molecular weight of 353.60 g/mol. Its IUPAC name is ethyl 8-bromo-5-chloroimidazo[1,2-a]quinoline-2-carboxylate.

Molecular Properties

Compound Nameethyl 8-bromo-5-chloroimidazo[1,2-a]quinoline-2-carboxylate
PubChem CID12763986
Molecular FormulaC14H10BrClN2O2
Molecular Weight353.60 g/mol
Exact Mass351.96
IUPAC Nameethyl 8-bromo-5-chloroimidazo[1,2-a]quinoline-2-carboxylate
SMILESCCOC(=O)c1cn2c(cc(Cl)c3ccc(Br)cc32)n1
InChIInChI=1S/C14H10BrClN2O2/c1-2-20-14(19)11-7-18-12-5-8(15)3-4-9(12)10(16)6-13(18)17-11/h3-7H,2H2,1H3
InChIKeyHWHOHGXWZFLLPO-UHFFFAOYSA-N
XLogP4.08
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.60
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 8-bromo-5-chloroimidazo[1,2-a]quinoline-2-carboxylate?
The IUPAC name of ethyl 8-bromo-5-chloroimidazo[1,2-a]quinoline-2-carboxylate (CID 12763986) is ethyl 8-bromo-5-chloroimidazo[1,2-a]quinoline-2-carboxylate.
What is the SMILES notation for ethyl 8-bromo-5-chloroimidazo[1,2-a]quinoline-2-carboxylate?
The canonical SMILES for ethyl 8-bromo-5-chloroimidazo[1,2-a]quinoline-2-carboxylate is CCOC(=O)c1cn2c(cc(Cl)c3ccc(Br)cc32)n1.
What is the InChIKey of ethyl 8-bromo-5-chloroimidazo[1,2-a]quinoline-2-carboxylate?
The InChIKey is HWHOHGXWZFLLPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrClN2O2/c1-2-20-14(19)11-7-18-12-5-8(15)3-4-9(12)10(16)6-13(18)17-11/h3-7H,2H2,1H3.
What are the key properties of ethyl 8-bromo-5-chloroimidazo[1,2-a]quinoline-2-carboxylate?
ethyl 8-bromo-5-chloroimidazo[1,2-a]quinoline-2-carboxylate has a molecular weight of 353.60 g/mol, XLogP of 4.08, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 8-bromo-5-chloroimidazo[1,2-a]quinoline-2-carboxylate is sourced from PubChem (CID 12763986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).