3-(3,4-dihydro-1H-isoquinolin-2-yl)-1-(3-methoxyphenyl)pyrrolidine-2,5-dione

C20H20N2O3 — CID 3695414

IUPAC3-(3,4-dihydro-1H-isoquinolin-2-yl)-1-(3-methoxyphenyl)pyrrolidine-2,5-dione
SMILESCOc1cccc(N2C(=O)CC(N3CCc4ccccc4C3)C2=O)c1
InChIInChI=1S/C20H20N2O3/c1-25-17-8-4-7-16(11-17)22-19(23)12-18(20(22)24)21-10-9-14-5-2-3-6-15(14)13-21/h2-8,11,18H,9-10,12-13H2,1H3
InChIKeyVGUXERLXNQCVBC-UHFFFAOYSA-N
MW336.39 g/mol
LogP2.39
Rot. Bonds3

About 3-(3,4-dihydro-1H-isoquinolin-2-yl)-1-(3-methoxyphenyl)pyrrolidine-2,5-dione

3-(3,4-dihydro-1H-isoquinolin-2-yl)-1-(3-methoxyphenyl)pyrrolidine-2,5-dione (PubChem CID 3695414) has the molecular formula C20H20N2O3 and a molecular weight of 336.39 g/mol. Its IUPAC name is 3-(3,4-dihydro-1H-isoquinolin-2-yl)-1-(3-methoxyphenyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-(3,4-dihydro-1H-isoquinolin-2-yl)-1-(3-methoxyphenyl)pyrrolidine-2,5-dione
PubChem CID3695414
Molecular FormulaC20H20N2O3
Molecular Weight336.39 g/mol
Exact Mass336.15
IUPAC Name3-(3,4-dihydro-1H-isoquinolin-2-yl)-1-(3-methoxyphenyl)pyrrolidine-2,5-dione
SMILESCOc1cccc(N2C(=O)CC(N3CCc4ccccc4C3)C2=O)c1
InChIInChI=1S/C20H20N2O3/c1-25-17-8-4-7-16(11-17)22-19(23)12-18(20(22)24)21-10-9-14-5-2-3-6-15(14)13-21/h2-8,11,18H,9-10,12-13H2,1H3
InChIKeyVGUXERLXNQCVBC-UHFFFAOYSA-N
XLogP2.39
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 3-(3,4-dihydro-1H-isoquinolin-2-yl)-1-(3-methoxyphenyl)pyrrolidine-2,5-dione with MolForge

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Related Compounds

Ucm1014
CID 121231413
2-[4-[4-(3-Methoxyphenyl)piperazin-1-yl]butyl]isoindole-1,3-dione
CID 164628184
1-Ethyl-3-[4-(3-methoxyphenyl)piperazin-1-yl]pyrrolidine-2,5-dione
CID 2950914
2-[4-(3-methoxyphenyl)piperazin-1-yl]-N-(1-phenylethyl)acetamide
CID 6464473
N-benzyl-2-[4-(3-methoxyphenyl)piperazin-1-yl]acetamide
CID 6468739
3-[Benzyl(methyl)amino]-1-(4-ethoxyphenyl)pyrrolidine-2,5-dione
CID 2839652
1-[1-(3-Ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-4-piperidin-1-ylpiperidine-4-carboxamide
CID 2884054
1-[1-(3-Methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-4-piperidin-1-ylpiperidine-4-carboxamide
CID 2937059
N-[1-(3-methoxyphenyl)-3,4-dihydro-2H-quinolin-3-yl]cyclopropanecarboxamide
CID 53316989
3-[1-(3,4-dimethoxyphenyl)-6,7-dimethoxy-3,4-dihydro-2(1H)-isoquinolinyl]-1-phenyl-2,5-pyrrolidinedione
CID 2840973
2-[2-(7-methoxy-2,2,4-trimethylquinolin-1(2H)-yl)-2-oxoethyl]hexahydro-1H-isoindole-1,3(2H)-dione
CID 2913780
1-(4-Methoxyphenyl)-3-[4-(1,2,3,4-tetrahydro-2-naphthalenyl)-1-piperazinyl]-2,5-pyrrolidinedione
CID 2927499

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dihydro-1H-isoquinolin-2-yl)-1-(3-methoxyphenyl)pyrrolidine-2,5-dione?
The IUPAC name of 3-(3,4-dihydro-1H-isoquinolin-2-yl)-1-(3-methoxyphenyl)pyrrolidine-2,5-dione (CID 3695414) is 3-(3,4-dihydro-1H-isoquinolin-2-yl)-1-(3-methoxyphenyl)pyrrolidine-2,5-dione.
What is the SMILES notation for 3-(3,4-dihydro-1H-isoquinolin-2-yl)-1-(3-methoxyphenyl)pyrrolidine-2,5-dione?
The canonical SMILES for 3-(3,4-dihydro-1H-isoquinolin-2-yl)-1-(3-methoxyphenyl)pyrrolidine-2,5-dione is COc1cccc(N2C(=O)CC(N3CCc4ccccc4C3)C2=O)c1.
What is the InChIKey of 3-(3,4-dihydro-1H-isoquinolin-2-yl)-1-(3-methoxyphenyl)pyrrolidine-2,5-dione?
The InChIKey is VGUXERLXNQCVBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O3/c1-25-17-8-4-7-16(11-17)22-19(23)12-18(20(22)24)21-10-9-14-5-2-3-6-15(14)13-21/h2-8,11,18H,9-10,12-13H2,1H3.
What are the key properties of 3-(3,4-dihydro-1H-isoquinolin-2-yl)-1-(3-methoxyphenyl)pyrrolidine-2,5-dione?
3-(3,4-dihydro-1H-isoquinolin-2-yl)-1-(3-methoxyphenyl)pyrrolidine-2,5-dione has a molecular weight of 336.39 g/mol, XLogP of 2.39, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dihydro-1H-isoquinolin-2-yl)-1-(3-methoxyphenyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 3695414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).