ethyl 8-methoxy-9-morpholin-4-yl-1-pyridin-3-yl-5,6-dihydropyrrolo[2,1-a]isoquinoline-3-carboxylate

C25H27N3O4 — CID 58147581

IUPACethyl 8-methoxy-9-morpholin-4-yl-1-pyridin-3-yl-5,6-dihydropyrrolo[2,1-a]isoquinoline-3-carboxylate
SMILESCCOC(=O)c1cc(-c2cccnc2)c2n1CCc1cc(OC)c(N3CCOCC3)cc1-2
InChIInChI=1S/C25H27N3O4/c1-3-32-25(29)22-15-20(18-5-4-7-26-16-18)24-19-14-21(27-9-11-31-12-10-27)23(30-2)13-17(19)6-8-28(22)24/h4-5,7,13-16H,3,6,8-12H2,1-2H3
InChIKeyRXIBEWDUVCKGMK-UHFFFAOYSA-N
MW433.51 g/mol
LogP3.80
Rot. Bonds5

About ethyl 8-methoxy-9-morpholin-4-yl-1-pyridin-3-yl-5,6-dihydropyrrolo[2,1-a]isoquinoline-3-carboxylate

ethyl 8-methoxy-9-morpholin-4-yl-1-pyridin-3-yl-5,6-dihydropyrrolo[2,1-a]isoquinoline-3-carboxylate (PubChem CID 58147581) has the molecular formula C25H27N3O4 and a molecular weight of 433.51 g/mol. Its IUPAC name is ethyl 8-methoxy-9-morpholin-4-yl-1-pyridin-3-yl-5,6-dihydropyrrolo[2,1-a]isoquinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 8-methoxy-9-morpholin-4-yl-1-pyridin-3-yl-5,6-dihydropyrrolo[2,1-a]isoquinoline-3-carboxylate
PubChem CID58147581
Molecular FormulaC25H27N3O4
Molecular Weight433.51 g/mol
Exact Mass433.20
IUPAC Nameethyl 8-methoxy-9-morpholin-4-yl-1-pyridin-3-yl-5,6-dihydropyrrolo[2,1-a]isoquinoline-3-carboxylate
SMILESCCOC(=O)c1cc(-c2cccnc2)c2n1CCc1cc(OC)c(N3CCOCC3)cc1-2
InChIInChI=1S/C25H27N3O4/c1-3-32-25(29)22-15-20(18-5-4-7-26-16-18)24-19-14-21(27-9-11-31-12-10-27)23(30-2)13-17(19)6-8-28(22)24/h4-5,7,13-16H,3,6,8-12H2,1-2H3
InChIKeyRXIBEWDUVCKGMK-UHFFFAOYSA-N
XLogP3.80
TPSA65.82 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.51
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze ethyl 8-methoxy-9-morpholin-4-yl-1-pyridin-3-yl-5,6-dihydropyrrolo[2,1-a]isoquinoline-3-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 8-methoxy-9-morpholin-4-yl-1-pyridin-3-yl-5,6-dihydropyrrolo[2,1-a]isoquinoline-3-carboxylate?
The IUPAC name of ethyl 8-methoxy-9-morpholin-4-yl-1-pyridin-3-yl-5,6-dihydropyrrolo[2,1-a]isoquinoline-3-carboxylate (CID 58147581) is ethyl 8-methoxy-9-morpholin-4-yl-1-pyridin-3-yl-5,6-dihydropyrrolo[2,1-a]isoquinoline-3-carboxylate.
What is the SMILES notation for ethyl 8-methoxy-9-morpholin-4-yl-1-pyridin-3-yl-5,6-dihydropyrrolo[2,1-a]isoquinoline-3-carboxylate?
The canonical SMILES for ethyl 8-methoxy-9-morpholin-4-yl-1-pyridin-3-yl-5,6-dihydropyrrolo[2,1-a]isoquinoline-3-carboxylate is CCOC(=O)c1cc(-c2cccnc2)c2n1CCc1cc(OC)c(N3CCOCC3)cc1-2.
What is the InChIKey of ethyl 8-methoxy-9-morpholin-4-yl-1-pyridin-3-yl-5,6-dihydropyrrolo[2,1-a]isoquinoline-3-carboxylate?
The InChIKey is RXIBEWDUVCKGMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O4/c1-3-32-25(29)22-15-20(18-5-4-7-26-16-18)24-19-14-21(27-9-11-31-12-10-27)23(30-2)13-17(19)6-8-28(22)24/h4-5,7,13-16H,3,6,8-12H2,1-2H3.
What are the key properties of ethyl 8-methoxy-9-morpholin-4-yl-1-pyridin-3-yl-5,6-dihydropyrrolo[2,1-a]isoquinoline-3-carboxylate?
ethyl 8-methoxy-9-morpholin-4-yl-1-pyridin-3-yl-5,6-dihydropyrrolo[2,1-a]isoquinoline-3-carboxylate has a molecular weight of 433.51 g/mol, XLogP of 3.80, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 8-methoxy-9-morpholin-4-yl-1-pyridin-3-yl-5,6-dihydropyrrolo[2,1-a]isoquinoline-3-carboxylate is sourced from PubChem (CID 58147581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).