methyl 9-methoxy-1-(3-methoxy-4-propan-2-yloxyphenyl)-8-propan-2-yloxy-5,6-dihydropyrrolo[2,1-a]isoquinoline-3-carboxylate

C28H33NO6 — CID 11562040

IUPACmethyl 9-methoxy-1-(3-methoxy-4-propan-2-yloxyphenyl)-8-propan-2-yloxy-5,6-dihydropyrrolo[2,1-a]isoquinoline-3-carboxylate
SMILESCOC(=O)c1cc(-c2ccc(OC(C)C)c(OC)c2)c2n1CCc1cc(OC(C)C)c(OC)cc1-2
InChIInChI=1S/C28H33NO6/c1-16(2)34-23-9-8-18(12-24(23)31-5)20-14-22(28(30)33-7)29-11-10-19-13-26(35-17(3)4)25(32-6)15-21(19)27(20)29/h8-9,12-17H,10-11H2,1-7H3
InChIKeyPBSSNXMDXFNZFP-UHFFFAOYSA-N
MW479.57 g/mol
LogP5.76
Rot. Bonds8

About methyl 9-methoxy-1-(3-methoxy-4-propan-2-yloxyphenyl)-8-propan-2-yloxy-5,6-dihydropyrrolo[2,1-a]isoquinoline-3-carboxylate

methyl 9-methoxy-1-(3-methoxy-4-propan-2-yloxyphenyl)-8-propan-2-yloxy-5,6-dihydropyrrolo[2,1-a]isoquinoline-3-carboxylate (PubChem CID 11562040) has the molecular formula C28H33NO6 and a molecular weight of 479.57 g/mol. Its IUPAC name is methyl 9-methoxy-1-(3-methoxy-4-propan-2-yloxyphenyl)-8-propan-2-yloxy-5,6-dihydropyrrolo[2,1-a]isoquinoline-3-carboxylate.

Molecular Properties

Compound Namemethyl 9-methoxy-1-(3-methoxy-4-propan-2-yloxyphenyl)-8-propan-2-yloxy-5,6-dihydropyrrolo[2,1-a]isoquinoline-3-carboxylate
PubChem CID11562040
Molecular FormulaC28H33NO6
Molecular Weight479.57 g/mol
Exact Mass479.23
IUPAC Namemethyl 9-methoxy-1-(3-methoxy-4-propan-2-yloxyphenyl)-8-propan-2-yloxy-5,6-dihydropyrrolo[2,1-a]isoquinoline-3-carboxylate
SMILESCOC(=O)c1cc(-c2ccc(OC(C)C)c(OC)c2)c2n1CCc1cc(OC(C)C)c(OC)cc1-2
InChIInChI=1S/C28H33NO6/c1-16(2)34-23-9-8-18(12-24(23)31-5)20-14-22(28(30)33-7)29-11-10-19-13-26(35-17(3)4)25(32-6)15-21(19)27(20)29/h8-9,12-17H,10-11H2,1-7H3
InChIKeyPBSSNXMDXFNZFP-UHFFFAOYSA-N
XLogP5.76
TPSA68.15 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.57
LogP ≤ 55.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze methyl 9-methoxy-1-(3-methoxy-4-propan-2-yloxyphenyl)-8-propan-2-yloxy-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 methyl 9-methoxy-1-(3-methoxy-4-propan-2-yloxyphenyl)-8-propan-2-yloxy-5,6-dihydropyrrolo[2,1-a]isoquinoline-3-carboxylate?
The IUPAC name of methyl 9-methoxy-1-(3-methoxy-4-propan-2-yloxyphenyl)-8-propan-2-yloxy-5,6-dihydropyrrolo[2,1-a]isoquinoline-3-carboxylate (CID 11562040) is methyl 9-methoxy-1-(3-methoxy-4-propan-2-yloxyphenyl)-8-propan-2-yloxy-5,6-dihydropyrrolo[2,1-a]isoquinoline-3-carboxylate.
What is the SMILES notation for methyl 9-methoxy-1-(3-methoxy-4-propan-2-yloxyphenyl)-8-propan-2-yloxy-5,6-dihydropyrrolo[2,1-a]isoquinoline-3-carboxylate?
The canonical SMILES for methyl 9-methoxy-1-(3-methoxy-4-propan-2-yloxyphenyl)-8-propan-2-yloxy-5,6-dihydropyrrolo[2,1-a]isoquinoline-3-carboxylate is COC(=O)c1cc(-c2ccc(OC(C)C)c(OC)c2)c2n1CCc1cc(OC(C)C)c(OC)cc1-2.
What is the InChIKey of methyl 9-methoxy-1-(3-methoxy-4-propan-2-yloxyphenyl)-8-propan-2-yloxy-5,6-dihydropyrrolo[2,1-a]isoquinoline-3-carboxylate?
The InChIKey is PBSSNXMDXFNZFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33NO6/c1-16(2)34-23-9-8-18(12-24(23)31-5)20-14-22(28(30)33-7)29-11-10-19-13-26(35-17(3)4)25(32-6)15-21(19)27(20)29/h8-9,12-17H,10-11H2,1-7H3.
What are the key properties of methyl 9-methoxy-1-(3-methoxy-4-propan-2-yloxyphenyl)-8-propan-2-yloxy-5,6-dihydropyrrolo[2,1-a]isoquinoline-3-carboxylate?
methyl 9-methoxy-1-(3-methoxy-4-propan-2-yloxyphenyl)-8-propan-2-yloxy-5,6-dihydropyrrolo[2,1-a]isoquinoline-3-carboxylate has a molecular weight of 479.57 g/mol, XLogP of 5.76, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 9-methoxy-1-(3-methoxy-4-propan-2-yloxyphenyl)-8-propan-2-yloxy-5,6-dihydropyrrolo[2,1-a]isoquinoline-3-carboxylate is sourced from PubChem (CID 11562040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).