ethyl 5-amino-8-fluoro-2,3-diphenylimidazo[2,1-a]isoquinoline-6-carboxylate

C26H20FN3O2 — CID 137350415

IUPACethyl 5-amino-8-fluoro-2,3-diphenylimidazo[2,1-a]isoquinoline-6-carboxylate
SMILESCCOC(=O)c1c(N)n2c(-c3ccccc3)c(-c3ccccc3)nc2c2ccc(F)cc12
InChIInChI=1S/C26H20FN3O2/c1-2-32-26(31)21-20-15-18(27)13-14-19(20)25-29-22(16-9-5-3-6-10-16)23(30(25)24(21)28)17-11-7-4-8-12-17/h3-15H,2,28H2,1H3
InChIKeyKWHCKFQWQCKWIO-UHFFFAOYSA-N
MW425.46 g/mol
LogP5.72
Rot. Bonds4

About ethyl 5-amino-8-fluoro-2,3-diphenylimidazo[2,1-a]isoquinoline-6-carboxylate

ethyl 5-amino-8-fluoro-2,3-diphenylimidazo[2,1-a]isoquinoline-6-carboxylate (PubChem CID 137350415) has the molecular formula C26H20FN3O2 and a molecular weight of 425.46 g/mol. Its IUPAC name is ethyl 5-amino-8-fluoro-2,3-diphenylimidazo[2,1-a]isoquinoline-6-carboxylate.

Molecular Properties

Compound Nameethyl 5-amino-8-fluoro-2,3-diphenylimidazo[2,1-a]isoquinoline-6-carboxylate
PubChem CID137350415
Molecular FormulaC26H20FN3O2
Molecular Weight425.46 g/mol
Exact Mass425.15
IUPAC Nameethyl 5-amino-8-fluoro-2,3-diphenylimidazo[2,1-a]isoquinoline-6-carboxylate
SMILESCCOC(=O)c1c(N)n2c(-c3ccccc3)c(-c3ccccc3)nc2c2ccc(F)cc12
InChIInChI=1S/C26H20FN3O2/c1-2-32-26(31)21-20-15-18(27)13-14-19(20)25-29-22(16-9-5-3-6-10-16)23(30(25)24(21)28)17-11-7-4-8-12-17/h3-15H,2,28H2,1H3
InChIKeyKWHCKFQWQCKWIO-UHFFFAOYSA-N
XLogP5.72
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.46
LogP ≤ 55.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 5-amino-8-fluoro-2,3-diphenylimidazo[2,1-a]isoquinoline-6-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-fluoro-2-[4-(2-fluorophenyl)phenyl]-3-methylquinoline-4-carboxylate
CID 162343089
ethyl 8-fluoro-1-(4-methoxyphenyl)-4-phenylpyrido[3,2-b]indole-2-carboxylate
CID 132546434
ethyl 4-(4-bromophenyl)-7-fluoro-3-iodo-2-phenylpyrido[2,3-b]indole-9-carboxylate
CID 135060193
ethyl 3-(4-bromo-6-fluoro-3-phenylisoquinolin-1-yl)-2-hydroxypropanoate
CID 46865848
ethyl 4-(4-fluorophenyl)-2-methylquinoline-3-carboxylate
CID 11594733
CID 154709525
CID 154709525
2-ethoxycarbonyl-6-fluoroquinolin-4-olate
CID 51421181
5-amino-9-methoxy-2,3-diphenylimidazo[2,1-a]isoquinoline-6-carbonitrile
CID 137350391
ethyl 2-aminoazulene-1-carboxylate
CID 11458568
3-ethyl-7-fluoro-2-phenylquinoline-4-carboxylic acid
CID 43823131
ethyl 6-(2-fluorophenyl)-2-methyl-4-phenylpyridine-3-carboxylate
CID 132563026
ethyl 2-ethyl-4-methyl-6-phenylpyrimidine-5-carboxylate
CID 139241104

Frequently Asked Questions

What is the IUPAC name of ethyl 5-amino-8-fluoro-2,3-diphenylimidazo[2,1-a]isoquinoline-6-carboxylate?
The IUPAC name of ethyl 5-amino-8-fluoro-2,3-diphenylimidazo[2,1-a]isoquinoline-6-carboxylate (CID 137350415) is ethyl 5-amino-8-fluoro-2,3-diphenylimidazo[2,1-a]isoquinoline-6-carboxylate.
What is the SMILES notation for ethyl 5-amino-8-fluoro-2,3-diphenylimidazo[2,1-a]isoquinoline-6-carboxylate?
The canonical SMILES for ethyl 5-amino-8-fluoro-2,3-diphenylimidazo[2,1-a]isoquinoline-6-carboxylate is CCOC(=O)c1c(N)n2c(-c3ccccc3)c(-c3ccccc3)nc2c2ccc(F)cc12.
What is the InChIKey of ethyl 5-amino-8-fluoro-2,3-diphenylimidazo[2,1-a]isoquinoline-6-carboxylate?
The InChIKey is KWHCKFQWQCKWIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20FN3O2/c1-2-32-26(31)21-20-15-18(27)13-14-19(20)25-29-22(16-9-5-3-6-10-16)23(30(25)24(21)28)17-11-7-4-8-12-17/h3-15H,2,28H2,1H3.
What are the key properties of ethyl 5-amino-8-fluoro-2,3-diphenylimidazo[2,1-a]isoquinoline-6-carboxylate?
ethyl 5-amino-8-fluoro-2,3-diphenylimidazo[2,1-a]isoquinoline-6-carboxylate has a molecular weight of 425.46 g/mol, XLogP of 5.72, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-amino-8-fluoro-2,3-diphenylimidazo[2,1-a]isoquinoline-6-carboxylate is sourced from PubChem (CID 137350415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).