ethyl 2-(6-fluoro-1H-indol-3-yl)-8,9-dimethoxy-3-methyl-5,6-dihydropyrrolo[2,1-a]isoquinoline-1-carboxylate

C26H25FN2O4 — CID 10297527

IUPACethyl 2-(6-fluoro-1H-indol-3-yl)-8,9-dimethoxy-3-methyl-5,6-dihydropyrrolo[2,1-a]isoquinoline-1-carboxylate
SMILESCCOC(=O)c1c(-c2c[nH]c3cc(F)ccc23)c(C)n2c1-c1cc(OC)c(OC)cc1CC2
InChIInChI=1S/C26H25FN2O4/c1-5-33-26(30)24-23(19-13-28-20-11-16(27)6-7-17(19)20)14(2)29-9-8-15-10-21(31-3)22(32-4)12-18(15)25(24)29/h6-7,10-13,28H,5,8-9H2,1-4H3
InChIKeyIRDQDSTXNWNEKB-UHFFFAOYSA-N
MW448.49 g/mol
LogP5.50
Rot. Bonds5

About ethyl 2-(6-fluoro-1H-indol-3-yl)-8,9-dimethoxy-3-methyl-5,6-dihydropyrrolo[2,1-a]isoquinoline-1-carboxylate

ethyl 2-(6-fluoro-1H-indol-3-yl)-8,9-dimethoxy-3-methyl-5,6-dihydropyrrolo[2,1-a]isoquinoline-1-carboxylate (PubChem CID 10297527) has the molecular formula C26H25FN2O4 and a molecular weight of 448.49 g/mol. Its IUPAC name is ethyl 2-(6-fluoro-1H-indol-3-yl)-8,9-dimethoxy-3-methyl-5,6-dihydropyrrolo[2,1-a]isoquinoline-1-carboxylate.

Molecular Properties

Compound Nameethyl 2-(6-fluoro-1H-indol-3-yl)-8,9-dimethoxy-3-methyl-5,6-dihydropyrrolo[2,1-a]isoquinoline-1-carboxylate
PubChem CID10297527
Molecular FormulaC26H25FN2O4
Molecular Weight448.49 g/mol
Exact Mass448.18
IUPAC Nameethyl 2-(6-fluoro-1H-indol-3-yl)-8,9-dimethoxy-3-methyl-5,6-dihydropyrrolo[2,1-a]isoquinoline-1-carboxylate
SMILESCCOC(=O)c1c(-c2c[nH]c3cc(F)ccc23)c(C)n2c1-c1cc(OC)c(OC)cc1CC2
InChIInChI=1S/C26H25FN2O4/c1-5-33-26(30)24-23(19-13-28-20-11-16(27)6-7-17(19)20)14(2)29-9-8-15-10-21(31-3)22(32-4)12-18(15)25(24)29/h6-7,10-13,28H,5,8-9H2,1-4H3
InChIKeyIRDQDSTXNWNEKB-UHFFFAOYSA-N
XLogP5.50
TPSA65.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.49
LogP ≤ 55.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 2-(6-fluoro-1H-indol-3-yl)-8,9-dimethoxy-3-methyl-5,6-dihydropyrrolo[2,1-a]isoquinoline-1-carboxylate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(6-fluoro-1H-indol-3-yl)-8,9-dimethoxy-3-methyl-5,6-dihydropyrrolo[2,1-a]isoquinoline-1-carboxylate?
The IUPAC name of ethyl 2-(6-fluoro-1H-indol-3-yl)-8,9-dimethoxy-3-methyl-5,6-dihydropyrrolo[2,1-a]isoquinoline-1-carboxylate (CID 10297527) is ethyl 2-(6-fluoro-1H-indol-3-yl)-8,9-dimethoxy-3-methyl-5,6-dihydropyrrolo[2,1-a]isoquinoline-1-carboxylate.
What is the SMILES notation for ethyl 2-(6-fluoro-1H-indol-3-yl)-8,9-dimethoxy-3-methyl-5,6-dihydropyrrolo[2,1-a]isoquinoline-1-carboxylate?
The canonical SMILES for ethyl 2-(6-fluoro-1H-indol-3-yl)-8,9-dimethoxy-3-methyl-5,6-dihydropyrrolo[2,1-a]isoquinoline-1-carboxylate is CCOC(=O)c1c(-c2c[nH]c3cc(F)ccc23)c(C)n2c1-c1cc(OC)c(OC)cc1CC2.
What is the InChIKey of ethyl 2-(6-fluoro-1H-indol-3-yl)-8,9-dimethoxy-3-methyl-5,6-dihydropyrrolo[2,1-a]isoquinoline-1-carboxylate?
The InChIKey is IRDQDSTXNWNEKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25FN2O4/c1-5-33-26(30)24-23(19-13-28-20-11-16(27)6-7-17(19)20)14(2)29-9-8-15-10-21(31-3)22(32-4)12-18(15)25(24)29/h6-7,10-13,28H,5,8-9H2,1-4H3.
What are the key properties of ethyl 2-(6-fluoro-1H-indol-3-yl)-8,9-dimethoxy-3-methyl-5,6-dihydropyrrolo[2,1-a]isoquinoline-1-carboxylate?
ethyl 2-(6-fluoro-1H-indol-3-yl)-8,9-dimethoxy-3-methyl-5,6-dihydropyrrolo[2,1-a]isoquinoline-1-carboxylate has a molecular weight of 448.49 g/mol, XLogP of 5.50, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(6-fluoro-1H-indol-3-yl)-8,9-dimethoxy-3-methyl-5,6-dihydropyrrolo[2,1-a]isoquinoline-1-carboxylate is sourced from PubChem (CID 10297527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).