6-[2-(2-methoxyphenyl)ethyl]-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one

C26H25N3O2 — CID 146943710

IUPAC6-[2-(2-methoxyphenyl)ethyl]-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one
SMILESCOc1ccccc1CCN1Cc2cc3c(cc2CC1=O)CN=C3c1ccnc(C)c1
InChIInChI=1S/C26H25N3O2/c1-17-11-19(7-9-27-17)26-23-13-22-16-29(10-8-18-5-3-4-6-24(18)31-2)25(30)14-20(22)12-21(23)15-28-26/h3-7,9,11-13H,8,10,14-16H2,1-2H3
InChIKeyAHJOAXCKXHYWLP-UHFFFAOYSA-N
MW411.51 g/mol
LogP3.88
Rot. Bonds5

About 6-[2-(2-methoxyphenyl)ethyl]-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one

6-[2-(2-methoxyphenyl)ethyl]-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one (PubChem CID 146943710) has the molecular formula C26H25N3O2 and a molecular weight of 411.51 g/mol. Its IUPAC name is 6-[2-(2-methoxyphenyl)ethyl]-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one.

Molecular Properties

Compound Name6-[2-(2-methoxyphenyl)ethyl]-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one
PubChem CID146943710
Molecular FormulaC26H25N3O2
Molecular Weight411.51 g/mol
Exact Mass411.19
IUPAC Name6-[2-(2-methoxyphenyl)ethyl]-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one
SMILESCOc1ccccc1CCN1Cc2cc3c(cc2CC1=O)CN=C3c1ccnc(C)c1
InChIInChI=1S/C26H25N3O2/c1-17-11-19(7-9-27-17)26-23-13-22-16-29(10-8-18-5-3-4-6-24(18)31-2)25(30)14-20(22)12-21(23)15-28-26/h3-7,9,11-13H,8,10,14-16H2,1-2H3
InChIKeyAHJOAXCKXHYWLP-UHFFFAOYSA-N
XLogP3.88
TPSA54.79 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.51
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-(2-cyclohexylethyl)-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one
CID 162018232
6-[2-(2-methoxyphenyl)ethyl]-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;4-(6-methylidene-3,5-dihydrobenzo[f]isoindol-1-yl)morpholine;3-(2-methyl-4-pyridinyl)-6-[(6-methyl-2-pyridinyl)methyl]-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;3-(2-methyl-4-pyridinyl)-6-[(1R)-1-phenylethyl]-1,8-dihydropyrrolo[3,4-g]isoquinoline-5,7-dione;3-(2-methyl-4-pyridinyl)-6-[(1R)-1-phenylethyl]-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;3-(2-methyl-4-pyridinyl)-6-[(5R)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one
CID 161475823
6-[(3R)-1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one
CID 146932189
6-[(3R)-1-[(3,5-difluorophenyl)methyl]piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one
CID 161435545
3-(2-methoxypyrimidin-5-yl)-6-[(3-methylphenyl)methyl]-1,5,7,9-tetrahydropyrrolo[3,4-h][2]benzazepin-8-one
CID 159010090
6-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-3-pyridazin-4-yl-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one
CID 158037865
4-[2-(2-methoxyphenyl)ethyl]piperazine-2,6-dione
CID 82118888
4-[3-(2-methyl-4-pyridinyl)-1H-isoindol-5-yl]-1-[(2-methyl-4-pyridinyl)methyl]pyridin-2-one
CID 158837194
N-[(1R)-2-(dimethylamino)-1-phenylethyl]-2-[3-(2-methyl-4-pyridinyl)-1H-pyrrolo[3,4-c]pyridin-6-yl]acetamide
CID 158777671
3,4-dihydro-1H-isoquinolin-2-yl-[4-[2-(2-methoxyphenyl)ethylamino]-2-pyridinyl]methanone
CID 109213749
2-[3-(2-fluorophenoxy)piperidin-1-yl]-1-[3-(2-methyl-4-pyridinyl)-1H-isoindol-5-yl]ethanone
CID 147911629
7-[(4-fluorophenyl)methyl]-9-hydroxy-1-methyl-3-(2-methyl-4-pyridinyl)-5,6-dihydropyrazolo[4,5-h][1,3]benzodiazepin-8-one;3-[(4-fluorophenyl)methyl]-1-hydroxy-7-(2-methyl-4-pyridinyl)-5,9-dihydro-4H-pyrrolo[3,4-h][1,3]benzodiazepin-2-one
CID 161024895

Frequently Asked Questions

What is the IUPAC name of 6-[2-(2-methoxyphenyl)ethyl]-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one?
The IUPAC name of 6-[2-(2-methoxyphenyl)ethyl]-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one (CID 146943710) is 6-[2-(2-methoxyphenyl)ethyl]-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one.
What is the SMILES notation for 6-[2-(2-methoxyphenyl)ethyl]-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one?
The canonical SMILES for 6-[2-(2-methoxyphenyl)ethyl]-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one is COc1ccccc1CCN1Cc2cc3c(cc2CC1=O)CN=C3c1ccnc(C)c1.
What is the InChIKey of 6-[2-(2-methoxyphenyl)ethyl]-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one?
The InChIKey is AHJOAXCKXHYWLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3O2/c1-17-11-19(7-9-27-17)26-23-13-22-16-29(10-8-18-5-3-4-6-24(18)31-2)25(30)14-20(22)12-21(23)15-28-26/h3-7,9,11-13H,8,10,14-16H2,1-2H3.
What are the key properties of 6-[2-(2-methoxyphenyl)ethyl]-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one?
6-[2-(2-methoxyphenyl)ethyl]-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one has a molecular weight of 411.51 g/mol, XLogP of 3.88, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(2-methoxyphenyl)ethyl]-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one is sourced from PubChem (CID 146943710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).