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

C14H10Cl2N2O2 — CID 12763976

IUPACethyl 5,8-dichloroimidazo[1,2-a]quinoline-2-carboxylate
SMILESCCOC(=O)c1cn2c(cc(Cl)c3ccc(Cl)cc32)n1
InChIInChI=1S/C14H10Cl2N2O2/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
InChIKeyDXDUREVJEMYPLQ-UHFFFAOYSA-N
MW309.15 g/mol
LogP3.97
Rot. Bonds2

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

ethyl 5,8-dichloroimidazo[1,2-a]quinoline-2-carboxylate (PubChem CID 12763976) has the molecular formula C14H10Cl2N2O2 and a molecular weight of 309.15 g/mol. Its IUPAC name is ethyl 5,8-dichloroimidazo[1,2-a]quinoline-2-carboxylate.

Molecular Properties

Compound Nameethyl 5,8-dichloroimidazo[1,2-a]quinoline-2-carboxylate
PubChem CID12763976
Molecular FormulaC14H10Cl2N2O2
Molecular Weight309.15 g/mol
Exact Mass308.01
IUPAC Nameethyl 5,8-dichloroimidazo[1,2-a]quinoline-2-carboxylate
SMILESCCOC(=O)c1cn2c(cc(Cl)c3ccc(Cl)cc32)n1
InChIInChI=1S/C14H10Cl2N2O2/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
InChIKeyDXDUREVJEMYPLQ-UHFFFAOYSA-N
XLogP3.97
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.15
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Ethyl 6-(aminomethyl)-5-(2,4-dichlorophenyl)-7-methylimidazo[1,2-a]pyrimidine-2-carboxylate
CID 11559922
Ethyl 7-methylimidazo[1,2-a]pyridine-2-carboxylate
CID 860187
2-(4-Chloro-phenyl)-1-(2,4-dichloro-phenyl)-1H-imidazole-4-carboxylic acid ethyl ester
CID 11463590
ethyl 7-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxylate
CID 90299647
propan-2-yl 7-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxylate
CID 90656302
cyclopropylmethyl 7-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxylate
CID 90656303
Ethyl 6-chloro-2-phenylimidazo[1,2-a]pyridine-3-carboxylate
CID 1473605
Ethyl 2-methylimidazo[2,1-a]isoquinoline-3-carboxylate
CID 749132
1-(3-Chloro-phenyl)-2-phenyl-1H-imidazole-4-carboxylic acid ethyl ester
CID 11347980
6-Chloro-2-(4-chloro-phenyl)-imidazo[1,2-a]pyridine-3-carboxylic acid ethyl ester
CID 10664491
Ethyl 2-(4-chlorophenyl)imidazo[1,2-a]pyridine-3-carboxylate
CID 10780612
2-(4-Chloro-phenyl)-6-methyl-imidazo[1,2-a]pyridine-3-carboxylic acid ethyl ester
CID 10805249

Frequently Asked Questions

What is the IUPAC name of ethyl 5,8-dichloroimidazo[1,2-a]quinoline-2-carboxylate?
The IUPAC name of ethyl 5,8-dichloroimidazo[1,2-a]quinoline-2-carboxylate (CID 12763976) is ethyl 5,8-dichloroimidazo[1,2-a]quinoline-2-carboxylate.
What is the SMILES notation for ethyl 5,8-dichloroimidazo[1,2-a]quinoline-2-carboxylate?
The canonical SMILES for ethyl 5,8-dichloroimidazo[1,2-a]quinoline-2-carboxylate is CCOC(=O)c1cn2c(cc(Cl)c3ccc(Cl)cc32)n1.
What is the InChIKey of ethyl 5,8-dichloroimidazo[1,2-a]quinoline-2-carboxylate?
The InChIKey is DXDUREVJEMYPLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl2N2O2/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 5,8-dichloroimidazo[1,2-a]quinoline-2-carboxylate?
ethyl 5,8-dichloroimidazo[1,2-a]quinoline-2-carboxylate has a molecular weight of 309.15 g/mol, XLogP of 3.97, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5,8-dichloroimidazo[1,2-a]quinoline-2-carboxylate is sourced from PubChem (CID 12763976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).