8,9-dimethoxy-1-phenyl-3-(2-phenylethyl)-5,6-dihydropyrrolo[2,1-a]isoquinoline

C28H27NO2 — CID 23254647

IUPAC8,9-dimethoxy-1-phenyl-3-(2-phenylethyl)-5,6-dihydropyrrolo[2,1-a]isoquinoline
SMILESCOc1cc2c(cc1OC)-c1c(-c3ccccc3)cc(CCc3ccccc3)n1CC2
InChIInChI=1S/C28H27NO2/c1-30-26-17-22-15-16-29-23(14-13-20-9-5-3-6-10-20)18-24(21-11-7-4-8-12-21)28(29)25(22)19-27(26)31-2/h3-12,17-19H,13-16H2,1-2H3
InChIKeyWEXXWQKPBKPRAC-UHFFFAOYSA-N
MW409.53 g/mol
LogP6.18
Rot. Bonds6

About 8,9-dimethoxy-1-phenyl-3-(2-phenylethyl)-5,6-dihydropyrrolo[2,1-a]isoquinoline

8,9-dimethoxy-1-phenyl-3-(2-phenylethyl)-5,6-dihydropyrrolo[2,1-a]isoquinoline (PubChem CID 23254647) has the molecular formula C28H27NO2 and a molecular weight of 409.53 g/mol. Its IUPAC name is 8,9-dimethoxy-1-phenyl-3-(2-phenylethyl)-5,6-dihydropyrrolo[2,1-a]isoquinoline.

Molecular Properties

Compound Name8,9-dimethoxy-1-phenyl-3-(2-phenylethyl)-5,6-dihydropyrrolo[2,1-a]isoquinoline
PubChem CID23254647
Molecular FormulaC28H27NO2
Molecular Weight409.53 g/mol
Exact Mass409.20
IUPAC Name8,9-dimethoxy-1-phenyl-3-(2-phenylethyl)-5,6-dihydropyrrolo[2,1-a]isoquinoline
SMILESCOc1cc2c(cc1OC)-c1c(-c3ccccc3)cc(CCc3ccccc3)n1CC2
InChIInChI=1S/C28H27NO2/c1-30-26-17-22-15-16-29-23(14-13-20-9-5-3-6-10-20)18-24(21-11-7-4-8-12-21)28(29)25(22)19-27(26)31-2/h3-12,17-19H,13-16H2,1-2H3
InChIKeyWEXXWQKPBKPRAC-UHFFFAOYSA-N
XLogP6.18
TPSA23.39 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.53
LogP ≤ 56.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 8,9-dimethoxy-1-phenyl-5,6-dihydropyrrolo[2,1-a]isoquinoline-3-carboxylate
CID 66925895
8,9-dimethoxy-3-phenyl-1-propyl-5,6-dihydroimidazo[5,1-a]isoquinoline
CID 139593043
8,9-dimethoxy-3-phenyl-1-pyridin-3-yl-5,6-dihydroimidazo[5,1-a]isoquinoline
CID 70810136
1-(3,4-dimethoxyphenyl)-2-hydroxy-9,10-dimethoxy-3-phenyl-6,7-dihydrobenzo[a]quinolizin-4-one
CID 110273739
3-benzyl-9,10-dimethoxy-1-phenyl-2,4,6,7-tetrahydropyrimido[6,1-a]isoquinoline
CID 10001730
1-bromo-8,9-dimethoxy-3-phenylsulfanyl-5,6-dihydroimidazo[5,1-a]isoquinoline;carbon dioxide
CID 142028906
(4-chlorophenyl)-(8,9-dimethoxy-2-phenyl-5,6-dihydropyrrolo[2,1-a]isoquinolin-3-yl)methanone
CID 166445744
1,2,4-trimethoxy-5-phenylbenzene
CID 18788699
7-methoxy-1-phenyl-6-phenylmethoxy-3,4-dihydroisoquinoline
CID 11110673
4-chloro-9,10-dimethoxy-2-phenylmethoxy-6,7-dihydro-4H-benzo[a]quinolizine
CID 155017293
8,16-dimethoxy-12-(3-methoxy-4-phenylmethoxyphenyl)-7,17-bis(phenylmethoxy)-1,4-diazapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-2(11),5,7,9,12,14,16,18-octaen-3-one
CID 139251127
2-(3-chlorophenyl)-8,9-dimethoxy-3-methyl-5,6-dihydropyrrolo[2,1-a]isoquinoline
CID 142211315

Frequently Asked Questions

What is the IUPAC name of 8,9-dimethoxy-1-phenyl-3-(2-phenylethyl)-5,6-dihydropyrrolo[2,1-a]isoquinoline?
The IUPAC name of 8,9-dimethoxy-1-phenyl-3-(2-phenylethyl)-5,6-dihydropyrrolo[2,1-a]isoquinoline (CID 23254647) is 8,9-dimethoxy-1-phenyl-3-(2-phenylethyl)-5,6-dihydropyrrolo[2,1-a]isoquinoline.
What is the SMILES notation for 8,9-dimethoxy-1-phenyl-3-(2-phenylethyl)-5,6-dihydropyrrolo[2,1-a]isoquinoline?
The canonical SMILES for 8,9-dimethoxy-1-phenyl-3-(2-phenylethyl)-5,6-dihydropyrrolo[2,1-a]isoquinoline is COc1cc2c(cc1OC)-c1c(-c3ccccc3)cc(CCc3ccccc3)n1CC2.
What is the InChIKey of 8,9-dimethoxy-1-phenyl-3-(2-phenylethyl)-5,6-dihydropyrrolo[2,1-a]isoquinoline?
The InChIKey is WEXXWQKPBKPRAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27NO2/c1-30-26-17-22-15-16-29-23(14-13-20-9-5-3-6-10-20)18-24(21-11-7-4-8-12-21)28(29)25(22)19-27(26)31-2/h3-12,17-19H,13-16H2,1-2H3.
What are the key properties of 8,9-dimethoxy-1-phenyl-3-(2-phenylethyl)-5,6-dihydropyrrolo[2,1-a]isoquinoline?
8,9-dimethoxy-1-phenyl-3-(2-phenylethyl)-5,6-dihydropyrrolo[2,1-a]isoquinoline has a molecular weight of 409.53 g/mol, XLogP of 6.18, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8,9-dimethoxy-1-phenyl-3-(2-phenylethyl)-5,6-dihydropyrrolo[2,1-a]isoquinoline is sourced from PubChem (CID 23254647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).