methyl 3-(3,5-dimethylphenyl)-8,9-dimethoxy-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxylate

C24H25NO4 — CID 89464199

IUPACmethyl 3-(3,5-dimethylphenyl)-8,9-dimethoxy-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxylate
SMILESCOC(=O)c1cc2n(c1-c1cc(C)cc(C)c1)CCc1cc(OC)c(OC)cc1-2
InChIInChI=1S/C24H25NO4/c1-14-8-15(2)10-17(9-14)23-19(24(26)29-5)12-20-18-13-22(28-4)21(27-3)11-16(18)6-7-25(20)23/h8-13H,6-7H2,1-5H3
InChIKeyHDIUZAOAUGGXNJ-UHFFFAOYSA-N
MW391.47 g/mol
LogP4.80
Rot. Bonds4

About methyl 3-(3,5-dimethylphenyl)-8,9-dimethoxy-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxylate

methyl 3-(3,5-dimethylphenyl)-8,9-dimethoxy-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxylate (PubChem CID 89464199) has the molecular formula C24H25NO4 and a molecular weight of 391.47 g/mol. Its IUPAC name is methyl 3-(3,5-dimethylphenyl)-8,9-dimethoxy-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-(3,5-dimethylphenyl)-8,9-dimethoxy-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxylate
PubChem CID89464199
Molecular FormulaC24H25NO4
Molecular Weight391.47 g/mol
Exact Mass391.18
IUPAC Namemethyl 3-(3,5-dimethylphenyl)-8,9-dimethoxy-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxylate
SMILESCOC(=O)c1cc2n(c1-c1cc(C)cc(C)c1)CCc1cc(OC)c(OC)cc1-2
InChIInChI=1S/C24H25NO4/c1-14-8-15(2)10-17(9-14)23-19(24(26)29-5)12-20-18-13-22(28-4)21(27-3)11-16(18)6-7-25(20)23/h8-13H,6-7H2,1-5H3
InChIKeyHDIUZAOAUGGXNJ-UHFFFAOYSA-N
XLogP4.80
TPSA49.69 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 3-(3,5-dimethylphenyl)-8,9-dimethoxy-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxylate with MolForge

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Related Compounds

3-(3,5-dimethylphenyl)-N-[1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-8,9-dimethoxy-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxamide
CID 78103223
ethyl 3-(3-fluorophenyl)-8-hydroxy-9-methoxy-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxylate
CID 129199206
ethyl 8-methoxy-9-propan-2-yloxy-3-thiophen-2-yl-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxylate
CID 89464790
methyl 2-(3-hydroxyphenyl)-8,9-dimethoxy-3-methyl-5,6-dihydropyrrolo[2,1-a]isoquinoline-1-carboxylate
CID 10200581
methyl 2-hydroxy-6,7-dimethoxy-9,10-dihydrophenanthrene-3-carboxylate
CID 89464855
ethyl 8,9-dimethoxy-3-methyl-2-(1-methylpyrrol-2-yl)-5,6-dihydropyrrolo[2,1-a]isoquinoline-1-carboxylate
CID 59125469
methyl 2-(3-chloro-4-hydroxyphenyl)-8,9-dimethoxy-3-methyl-5,6-dihydropyrrolo[2,1-a]isoquinoline-1-carboxylate
CID 10274139
(6,7-dimethoxy-3-methoxycarbonyl-9,10-dihydrophenanthren-2-yl)oxythallium
CID 144556859
ethyl 3-(3-fluorophenyl)-8-hydroxy-9-propan-2-yloxy-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxylate
CID 129199070
methyl 9-methoxy-8-propan-2-yloxy-1-(3,4,5-trimethoxyphenyl)-5,6-dihydropyrrolo[2,1-a]isoquinoline-3-carboxylate
CID 11634389
ethyl 8,9-dimethoxy-1-phenyl-5,6-dihydropyrrolo[2,1-a]isoquinoline-3-carboxylate
CID 66925895
9,10-dimethoxy-3-methyl-2-(N,2,4,6-tetramethylanilino)-6,7-dihydropyrimido[6,1-a]isoquinolin-3-ium-4-one
CID 12788096

Frequently Asked Questions

What is the IUPAC name of methyl 3-(3,5-dimethylphenyl)-8,9-dimethoxy-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxylate?
The IUPAC name of methyl 3-(3,5-dimethylphenyl)-8,9-dimethoxy-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxylate (CID 89464199) is methyl 3-(3,5-dimethylphenyl)-8,9-dimethoxy-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxylate.
What is the SMILES notation for methyl 3-(3,5-dimethylphenyl)-8,9-dimethoxy-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxylate?
The canonical SMILES for methyl 3-(3,5-dimethylphenyl)-8,9-dimethoxy-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxylate is COC(=O)c1cc2n(c1-c1cc(C)cc(C)c1)CCc1cc(OC)c(OC)cc1-2.
What is the InChIKey of methyl 3-(3,5-dimethylphenyl)-8,9-dimethoxy-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxylate?
The InChIKey is HDIUZAOAUGGXNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25NO4/c1-14-8-15(2)10-17(9-14)23-19(24(26)29-5)12-20-18-13-22(28-4)21(27-3)11-16(18)6-7-25(20)23/h8-13H,6-7H2,1-5H3.
What are the key properties of methyl 3-(3,5-dimethylphenyl)-8,9-dimethoxy-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxylate?
methyl 3-(3,5-dimethylphenyl)-8,9-dimethoxy-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxylate has a molecular weight of 391.47 g/mol, XLogP of 4.80, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(3,5-dimethylphenyl)-8,9-dimethoxy-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxylate is sourced from PubChem (CID 89464199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).