ethyl 5-bromoimidazo[1,2-a]quinoline-2-carboxylate

C14H11BrN2O2 — CID 12763980

IUPACethyl 5-bromoimidazo[1,2-a]quinoline-2-carboxylate
SMILESCCOC(=O)c1cn2c(cc(Br)c3ccccc32)n1
InChIInChI=1S/C14H11BrN2O2/c1-2-19-14(18)11-8-17-12-6-4-3-5-9(12)10(15)7-13(17)16-11/h3-8H,2H2,1H3
InChIKeyADWOMCBLRKFCDQ-UHFFFAOYSA-N
MW319.16 g/mol
LogP3.43
Rot. Bonds2

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

ethyl 5-bromoimidazo[1,2-a]quinoline-2-carboxylate (PubChem CID 12763980) has the molecular formula C14H11BrN2O2 and a molecular weight of 319.16 g/mol. Its IUPAC name is ethyl 5-bromoimidazo[1,2-a]quinoline-2-carboxylate.

Molecular Properties

Compound Nameethyl 5-bromoimidazo[1,2-a]quinoline-2-carboxylate
PubChem CID12763980
Molecular FormulaC14H11BrN2O2
Molecular Weight319.16 g/mol
Exact Mass318.00
IUPAC Nameethyl 5-bromoimidazo[1,2-a]quinoline-2-carboxylate
SMILESCCOC(=O)c1cn2c(cc(Br)c3ccccc32)n1
InChIInChI=1S/C14H11BrN2O2/c1-2-19-14(18)11-8-17-12-6-4-3-5-9(12)10(15)7-13(17)16-11/h3-8H,2H2,1H3
InChIKeyADWOMCBLRKFCDQ-UHFFFAOYSA-N
XLogP3.43
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.16
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethyl 5-bromoimidazo[1,2-a]quinoline-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 6-chloroimidazo[1,2-a]quinoline-2-carboxylate
CID 12763984
ethyl 3-bromoindole-1-carboxylate
CID 67446481
ethyl 8-methoxy-5-propan-2-yloxyimidazo[1,2-a]quinoline-2-carboxylate
CID 12763968
ethyl 6-chloro-1-oxopyrimido[1,2-a]quinoline-3-carboxylate
CID 150202984
ethyl 8-bromoimidazo[1,2-a]pyridine-2-carboxylate
CID 57360969
ethyl 7-chloro-5-oxo-6H-imidazo[1,2-c]pyrimidine-2-carboxylate
CID 118992764
4-bromopyridine-2,6-diamine;ethyl 5-amino-7-bromoimidazo[1,2-a]pyridine-2-carboxylate;ethyl 7-bromo-5-chloroimidazo[1,2-a]pyridine-2-carboxylate
CID 161018045
ethyl pyrazolo[1,5-c]quinazoline-2-carboxylate
CID 10610124
ethyl 6-amino-7-methylimidazo[1,2-a]pyridine-2-carboxylate
CID 14761405
ethyl 5-[2-(naphthalen-1-ylsulfonylamino)ethylsulfanyl]imidazo[1,2-a]pyridine-2-carboxylate
CID 23362810
ethyl 7-chloro-5-morpholin-4-ylimidazo[1,2-c]pyrimidine-2-carboxylate
CID 118992766
ethyl 1-methoxy-9-methylpyrido[3,4-b]indole-3-carboxylate
CID 13147294

Frequently Asked Questions

What is the IUPAC name of ethyl 5-bromoimidazo[1,2-a]quinoline-2-carboxylate?
The IUPAC name of ethyl 5-bromoimidazo[1,2-a]quinoline-2-carboxylate (CID 12763980) is ethyl 5-bromoimidazo[1,2-a]quinoline-2-carboxylate.
What is the SMILES notation for ethyl 5-bromoimidazo[1,2-a]quinoline-2-carboxylate?
The canonical SMILES for ethyl 5-bromoimidazo[1,2-a]quinoline-2-carboxylate is CCOC(=O)c1cn2c(cc(Br)c3ccccc32)n1.
What is the InChIKey of ethyl 5-bromoimidazo[1,2-a]quinoline-2-carboxylate?
The InChIKey is ADWOMCBLRKFCDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrN2O2/c1-2-19-14(18)11-8-17-12-6-4-3-5-9(12)10(15)7-13(17)16-11/h3-8H,2H2,1H3.
What are the key properties of ethyl 5-bromoimidazo[1,2-a]quinoline-2-carboxylate?
ethyl 5-bromoimidazo[1,2-a]quinoline-2-carboxylate has a molecular weight of 319.16 g/mol, XLogP of 3.43, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-bromoimidazo[1,2-a]quinoline-2-carboxylate is sourced from PubChem (CID 12763980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).