ethyl 8,9-dimethoxy-1-phenyl-5,6-dihydropyrrolo[2,1-a]isoquinoline-3-carboxylate

C23H23NO4 — CID 66925895

IUPACethyl 8,9-dimethoxy-1-phenyl-5,6-dihydropyrrolo[2,1-a]isoquinoline-3-carboxylate
SMILESCCOC(=O)c1cc(-c2ccccc2)c2n1CCc1cc(OC)c(OC)cc1-2
InChIInChI=1S/C23H23NO4/c1-4-28-23(25)19-13-17(15-8-6-5-7-9-15)22-18-14-21(27-3)20(26-2)12-16(18)10-11-24(19)22/h5-9,12-14H,4,10-11H2,1-3H3
InChIKeySRPXXZCXAZLTNH-UHFFFAOYSA-N
MW377.44 g/mol
LogP4.57
Rot. Bonds5

About ethyl 8,9-dimethoxy-1-phenyl-5,6-dihydropyrrolo[2,1-a]isoquinoline-3-carboxylate

ethyl 8,9-dimethoxy-1-phenyl-5,6-dihydropyrrolo[2,1-a]isoquinoline-3-carboxylate (PubChem CID 66925895) has the molecular formula C23H23NO4 and a molecular weight of 377.44 g/mol. Its IUPAC name is ethyl 8,9-dimethoxy-1-phenyl-5,6-dihydropyrrolo[2,1-a]isoquinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 8,9-dimethoxy-1-phenyl-5,6-dihydropyrrolo[2,1-a]isoquinoline-3-carboxylate
PubChem CID66925895
Molecular FormulaC23H23NO4
Molecular Weight377.44 g/mol
Exact Mass377.16
IUPAC Nameethyl 8,9-dimethoxy-1-phenyl-5,6-dihydropyrrolo[2,1-a]isoquinoline-3-carboxylate
SMILESCCOC(=O)c1cc(-c2ccccc2)c2n1CCc1cc(OC)c(OC)cc1-2
InChIInChI=1S/C23H23NO4/c1-4-28-23(25)19-13-17(15-8-6-5-7-9-15)22-18-14-21(27-3)20(26-2)12-16(18)10-11-24(19)22/h5-9,12-14H,4,10-11H2,1-3H3
InChIKeySRPXXZCXAZLTNH-UHFFFAOYSA-N
XLogP4.57
TPSA49.69 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 8,9-dimethoxy-1-phenyl-5,6-dihydropyrrolo[2,1-a]isoquinoline-3-carboxylate?
The IUPAC name of ethyl 8,9-dimethoxy-1-phenyl-5,6-dihydropyrrolo[2,1-a]isoquinoline-3-carboxylate (CID 66925895) is ethyl 8,9-dimethoxy-1-phenyl-5,6-dihydropyrrolo[2,1-a]isoquinoline-3-carboxylate.
What is the SMILES notation for ethyl 8,9-dimethoxy-1-phenyl-5,6-dihydropyrrolo[2,1-a]isoquinoline-3-carboxylate?
The canonical SMILES for ethyl 8,9-dimethoxy-1-phenyl-5,6-dihydropyrrolo[2,1-a]isoquinoline-3-carboxylate is CCOC(=O)c1cc(-c2ccccc2)c2n1CCc1cc(OC)c(OC)cc1-2.
What is the InChIKey of ethyl 8,9-dimethoxy-1-phenyl-5,6-dihydropyrrolo[2,1-a]isoquinoline-3-carboxylate?
The InChIKey is SRPXXZCXAZLTNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23NO4/c1-4-28-23(25)19-13-17(15-8-6-5-7-9-15)22-18-14-21(27-3)20(26-2)12-16(18)10-11-24(19)22/h5-9,12-14H,4,10-11H2,1-3H3.
What are the key properties of ethyl 8,9-dimethoxy-1-phenyl-5,6-dihydropyrrolo[2,1-a]isoquinoline-3-carboxylate?
ethyl 8,9-dimethoxy-1-phenyl-5,6-dihydropyrrolo[2,1-a]isoquinoline-3-carboxylate has a molecular weight of 377.44 g/mol, XLogP of 4.57, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 8,9-dimethoxy-1-phenyl-5,6-dihydropyrrolo[2,1-a]isoquinoline-3-carboxylate is sourced from PubChem (CID 66925895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).