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

C20H21N3O2 — CID 142683091

IUPACethyl 8-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylimidazo[1,2-a]pyridine-3-carboxylate
SMILESCCOC(=O)c1c(C)nc2c(N3CCc4ccccc4C3)cccn12
InChIInChI=1S/C20H21N3O2/c1-3-25-20(24)18-14(2)21-19-17(9-6-11-23(18)19)22-12-10-15-7-4-5-8-16(15)13-22/h4-9,11H,3,10,12-13H2,1-2H3
InChIKeyJTNFVGLQQYAXOV-UHFFFAOYSA-N
MW335.41 g/mol
LogP3.38
Rot. Bonds3

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

ethyl 8-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylimidazo[1,2-a]pyridine-3-carboxylate (PubChem CID 142683091) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is ethyl 8-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylimidazo[1,2-a]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 8-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylimidazo[1,2-a]pyridine-3-carboxylate
PubChem CID142683091
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC Nameethyl 8-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylimidazo[1,2-a]pyridine-3-carboxylate
SMILESCCOC(=O)c1c(C)nc2c(N3CCc4ccccc4C3)cccn12
InChIInChI=1S/C20H21N3O2/c1-3-25-20(24)18-14(2)21-19-17(9-6-11-23(18)19)22-12-10-15-7-4-5-8-16(15)13-22/h4-9,11H,3,10,12-13H2,1-2H3
InChIKeyJTNFVGLQQYAXOV-UHFFFAOYSA-N
XLogP3.38
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze ethyl 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 6-chloro-8-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylimidazo[1,2-a]pyridine-3-carboxylate
CID 142683047
ethyl 4-amino-2-(3,4-dihydro-1H-isoquinolin-2-yl)pyrimidine-5-carboxylate
CID 6472680
ethyl 2-methylimidazo[1,2-a]pyridine-3-carboxylate;hydrochloride
CID 52988808
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
2-(2-methylphenyl)-3,4-dihydro-1H-isoquinoline
CID 141294642
ethyl 8-methoxy-2-methylimidazo[1,2-a]pyrazine-3-carboxylate
CID 13416938
ethyl 2-bromoimidazo[1,2-a]pyridine-3-carboxylate
CID 131383872
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
2,8-dimethylimidazo[1,2-a]pyridine-3-carboxylic acid
CID 2736259
ethyl 4-(3,4-dihydro-1H-isoquinoline-2-carbonylamino)benzoate
CID 970289

Frequently Asked Questions

What is the IUPAC name of ethyl 8-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylimidazo[1,2-a]pyridine-3-carboxylate?
The IUPAC name of ethyl 8-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylimidazo[1,2-a]pyridine-3-carboxylate (CID 142683091) is ethyl 8-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylimidazo[1,2-a]pyridine-3-carboxylate.
What is the SMILES notation for ethyl 8-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylimidazo[1,2-a]pyridine-3-carboxylate?
The canonical SMILES for ethyl 8-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylimidazo[1,2-a]pyridine-3-carboxylate is CCOC(=O)c1c(C)nc2c(N3CCc4ccccc4C3)cccn12.
What is the InChIKey of ethyl 8-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylimidazo[1,2-a]pyridine-3-carboxylate?
The InChIKey is JTNFVGLQQYAXOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2/c1-3-25-20(24)18-14(2)21-19-17(9-6-11-23(18)19)22-12-10-15-7-4-5-8-16(15)13-22/h4-9,11H,3,10,12-13H2,1-2H3.
What are the key properties of ethyl 8-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylimidazo[1,2-a]pyridine-3-carboxylate?
ethyl 8-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylimidazo[1,2-a]pyridine-3-carboxylate has a molecular weight of 335.41 g/mol, XLogP of 3.38, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 8-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylimidazo[1,2-a]pyridine-3-carboxylate is sourced from PubChem (CID 142683091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).