ethyl 5-chloro-8-methoxyimidazo[1,2-a]quinoline-2-carboxylate

C15H13ClN2O3 — CID 12763970

IUPACethyl 5-chloro-8-methoxyimidazo[1,2-a]quinoline-2-carboxylate
SMILESCCOC(=O)c1cn2c(cc(Cl)c3ccc(OC)cc32)n1
InChIInChI=1S/C15H13ClN2O3/c1-3-21-15(19)12-8-18-13-6-9(20-2)4-5-10(13)11(16)7-14(18)17-12/h4-8H,3H2,1-2H3
InChIKeyYIUPWXITIZRYGM-UHFFFAOYSA-N
MW304.73 g/mol
LogP3.33
Rot. Bonds3

About ethyl 5-chloro-8-methoxyimidazo[1,2-a]quinoline-2-carboxylate

ethyl 5-chloro-8-methoxyimidazo[1,2-a]quinoline-2-carboxylate (PubChem CID 12763970) has the molecular formula C15H13ClN2O3 and a molecular weight of 304.73 g/mol. Its IUPAC name is ethyl 5-chloro-8-methoxyimidazo[1,2-a]quinoline-2-carboxylate.

Molecular Properties

Compound Nameethyl 5-chloro-8-methoxyimidazo[1,2-a]quinoline-2-carboxylate
PubChem CID12763970
Molecular FormulaC15H13ClN2O3
Molecular Weight304.73 g/mol
Exact Mass304.06
IUPAC Nameethyl 5-chloro-8-methoxyimidazo[1,2-a]quinoline-2-carboxylate
SMILESCCOC(=O)c1cn2c(cc(Cl)c3ccc(OC)cc32)n1
InChIInChI=1S/C15H13ClN2O3/c1-3-21-15(19)12-8-18-13-6-9(20-2)4-5-10(13)11(16)7-14(18)17-12/h4-8H,3H2,1-2H3
InChIKeyYIUPWXITIZRYGM-UHFFFAOYSA-N
XLogP3.33
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.73
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-chloro-8-methoxyimidazo[1,2-a]quinoline-2-carboxylate?
The IUPAC name of ethyl 5-chloro-8-methoxyimidazo[1,2-a]quinoline-2-carboxylate (CID 12763970) is ethyl 5-chloro-8-methoxyimidazo[1,2-a]quinoline-2-carboxylate.
What is the SMILES notation for ethyl 5-chloro-8-methoxyimidazo[1,2-a]quinoline-2-carboxylate?
The canonical SMILES for ethyl 5-chloro-8-methoxyimidazo[1,2-a]quinoline-2-carboxylate is CCOC(=O)c1cn2c(cc(Cl)c3ccc(OC)cc32)n1.
What is the InChIKey of ethyl 5-chloro-8-methoxyimidazo[1,2-a]quinoline-2-carboxylate?
The InChIKey is YIUPWXITIZRYGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2O3/c1-3-21-15(19)12-8-18-13-6-9(20-2)4-5-10(13)11(16)7-14(18)17-12/h4-8H,3H2,1-2H3.
What are the key properties of ethyl 5-chloro-8-methoxyimidazo[1,2-a]quinoline-2-carboxylate?
ethyl 5-chloro-8-methoxyimidazo[1,2-a]quinoline-2-carboxylate has a molecular weight of 304.73 g/mol, XLogP of 3.33, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-chloro-8-methoxyimidazo[1,2-a]quinoline-2-carboxylate is sourced from PubChem (CID 12763970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).