ethyl 6-chloro-8-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylimidazo[1,2-a]pyridine-3-carboxylate

C20H20ClN3O2 — CID 142683047

IUPACethyl 6-chloro-8-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylimidazo[1,2-a]pyridine-3-carboxylate
SMILESCCOC(=O)c1c(C)nc2c(N3CCc4ccccc4C3)cc(Cl)cn12
InChIInChI=1S/C20H20ClN3O2/c1-3-26-20(25)18-13(2)22-19-17(10-16(21)12-24(18)19)23-9-8-14-6-4-5-7-15(14)11-23/h4-7,10,12H,3,8-9,11H2,1-2H3
InChIKeyIHIORHZLQQZDAA-UHFFFAOYSA-N
MW369.85 g/mol
LogP4.04
Rot. Bonds3

About ethyl 6-chloro-8-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylimidazo[1,2-a]pyridine-3-carboxylate

ethyl 6-chloro-8-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylimidazo[1,2-a]pyridine-3-carboxylate (PubChem CID 142683047) has the molecular formula C20H20ClN3O2 and a molecular weight of 369.85 g/mol. Its IUPAC name is ethyl 6-chloro-8-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylimidazo[1,2-a]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-chloro-8-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylimidazo[1,2-a]pyridine-3-carboxylate
PubChem CID142683047
Molecular FormulaC20H20ClN3O2
Molecular Weight369.85 g/mol
Exact Mass369.12
IUPAC Nameethyl 6-chloro-8-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylimidazo[1,2-a]pyridine-3-carboxylate
SMILESCCOC(=O)c1c(C)nc2c(N3CCc4ccccc4C3)cc(Cl)cn12
InChIInChI=1S/C20H20ClN3O2/c1-3-26-20(25)18-13(2)22-19-17(10-16(21)12-24(18)19)23-9-8-14-6-4-5-7-15(14)11-23/h4-7,10,12H,3,8-9,11H2,1-2H3
InChIKeyIHIORHZLQQZDAA-UHFFFAOYSA-N
XLogP4.04
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.85
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze ethyl 6-chloro-8-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylimidazo[1,2-a]pyridine-3-carboxylate with MolForge

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Related Compounds

ethyl 8-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylimidazo[1,2-a]pyridine-3-carboxylate
CID 142683091
ethyl 4-amino-2-(3,4-dihydro-1H-isoquinolin-2-yl)pyrimidine-5-carboxylate
CID 6472680
ethyl 4-[[4-(3,4-dihydro-1H-isoquinolin-2-yl)-6-methylpyrimidin-2-yl]amino]benzoate
CID 112920394
ethyl 4-amino-3-(1,3-dihydroisoindol-2-yl)benzoate
CID 82775125
ethyl 4-(3,4-dihydro-1H-isoquinolin-2-yl)-5-ethylpyrrolo[2,1-f][1,2,4]triazine-6-carboxylate
CID 57313259
ethyl 5-(3,4-dihydro-1H-isoquinoline-2-carbonylamino)-2,6-dimethylpyridine-3-carboxylate
CID 4788353
ethyl 6-bromo-8-ethoxy-2-methylimidazo[1,2-a]pyridine-3-carboxylate
CID 90089878
2-(2-methylphenyl)-3,4-dihydro-1H-isoquinoline
CID 141294642
4-chloro-2-(3,4-dihydro-1H-isoquinolin-2-yl)benzaldehyde
CID 114843862
ethyl 6-bromo-2-methyl-8-phenylmethoxyimidazo[1,2-a]pyridine-3-carboxylate
CID 86717925
ethyl 2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)quinoline-3-carboxylate
CID 66551066
4-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylquinoline-7-carboxylic acid
CID 7138050

Frequently Asked Questions

What is the IUPAC name of ethyl 6-chloro-8-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylimidazo[1,2-a]pyridine-3-carboxylate?
The IUPAC name of ethyl 6-chloro-8-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylimidazo[1,2-a]pyridine-3-carboxylate (CID 142683047) is ethyl 6-chloro-8-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylimidazo[1,2-a]pyridine-3-carboxylate.
What is the SMILES notation for ethyl 6-chloro-8-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylimidazo[1,2-a]pyridine-3-carboxylate?
The canonical SMILES for ethyl 6-chloro-8-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylimidazo[1,2-a]pyridine-3-carboxylate is CCOC(=O)c1c(C)nc2c(N3CCc4ccccc4C3)cc(Cl)cn12.
What is the InChIKey of ethyl 6-chloro-8-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylimidazo[1,2-a]pyridine-3-carboxylate?
The InChIKey is IHIORHZLQQZDAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN3O2/c1-3-26-20(25)18-13(2)22-19-17(10-16(21)12-24(18)19)23-9-8-14-6-4-5-7-15(14)11-23/h4-7,10,12H,3,8-9,11H2,1-2H3.
What are the key properties of ethyl 6-chloro-8-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylimidazo[1,2-a]pyridine-3-carboxylate?
ethyl 6-chloro-8-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylimidazo[1,2-a]pyridine-3-carboxylate has a molecular weight of 369.85 g/mol, XLogP of 4.04, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-chloro-8-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylimidazo[1,2-a]pyridine-3-carboxylate is sourced from PubChem (CID 142683047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).