2-(4-methoxyphenyl)benzo[de]isoquinoline-1,3-dione

C19H13NO3 — CID 747246

IUPAC2-(4-methoxyphenyl)benzo[de]isoquinoline-1,3-dione
SMILESCOc1ccc(N2C(=O)c3cccc4cccc(c34)C2=O)cc1
InChIInChI=1S/C19H13NO3/c1-23-14-10-8-13(9-11-14)20-18(21)15-6-2-4-12-5-3-7-16(17(12)15)19(20)22/h2-11H,1H3
InChIKeyRUXPKYQZKBBXBF-UHFFFAOYSA-N
MW303.32 g/mol
LogP3.65
Rot. Bonds2

About 2-(4-methoxyphenyl)benzo[de]isoquinoline-1,3-dione

2-(4-methoxyphenyl)benzo[de]isoquinoline-1,3-dione (PubChem CID 747246) has the molecular formula C19H13NO3 and a molecular weight of 303.32 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)benzo[de]isoquinoline-1,3-dione.

Molecular Properties

Compound Name2-(4-methoxyphenyl)benzo[de]isoquinoline-1,3-dione
PubChem CID747246
Molecular FormulaC19H13NO3
Molecular Weight303.32 g/mol
Exact Mass303.09
IUPAC Name2-(4-methoxyphenyl)benzo[de]isoquinoline-1,3-dione
SMILESCOc1ccc(N2C(=O)c3cccc4cccc(c34)C2=O)cc1
InChIInChI=1S/C19H13NO3/c1-23-14-10-8-13(9-11-14)20-18(21)15-6-2-4-12-5-3-7-16(17(12)15)19(20)22/h2-11H,1H3
InChIKeyRUXPKYQZKBBXBF-UHFFFAOYSA-N
XLogP3.65
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-methoxyphenyl)-2-(1-naphthyl)acetamide
CID 835395
2-(4-Hydroxy-phenyl)-benzo[de]isoquinoline-1,3-dione
CID 745381
N-(4-methoxyphenyl)naphthalene-2-carboxamide
CID 826829
2-(4-methoxybenzyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione
CID 2939282
N-(4-methoxyphenyl)naphthalene-1-carboxamide
CID 532201
3-(4-(4-Methoxyphenyl)-1-piperazinyl)-1-(2-naphthyl)-1-propanone
CID 3490010
2,9-bis(4-ethoxyphenyl)anthra(2,1,9-def:6,5,10-d'e'f')diisoquinoline-1,3,8,10(2H,9H)-tetrone
CID 90365
4-(3,4-Dihydro-1H-isoquinolin-2-ylmethyl)-N-(4-ethoxy-phenyl)-benzamide
CID 1106360
2-(2,4-dimethylphenyl)-7-methoxy-4,4-dimethyl-1,3(2H,4H)-isoquinolinedione
CID 7037502
N-ethyl-N-[2-(4-methoxyanilino)-2-oxoethyl]naphthalene-2-carboxamide
CID 9094886
6-(4-Methoxyphenyl)-5H-dibenzo[c,E]azepine-5,7(6H)-dione
CID 591025
4-(6-nitro-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)phenyl acetate
CID 1098906

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)benzo[de]isoquinoline-1,3-dione?
The IUPAC name of 2-(4-methoxyphenyl)benzo[de]isoquinoline-1,3-dione (CID 747246) is 2-(4-methoxyphenyl)benzo[de]isoquinoline-1,3-dione.
What is the SMILES notation for 2-(4-methoxyphenyl)benzo[de]isoquinoline-1,3-dione?
The canonical SMILES for 2-(4-methoxyphenyl)benzo[de]isoquinoline-1,3-dione is COc1ccc(N2C(=O)c3cccc4cccc(c34)C2=O)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)benzo[de]isoquinoline-1,3-dione?
The InChIKey is RUXPKYQZKBBXBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13NO3/c1-23-14-10-8-13(9-11-14)20-18(21)15-6-2-4-12-5-3-7-16(17(12)15)19(20)22/h2-11H,1H3.
What are the key properties of 2-(4-methoxyphenyl)benzo[de]isoquinoline-1,3-dione?
2-(4-methoxyphenyl)benzo[de]isoquinoline-1,3-dione has a molecular weight of 303.32 g/mol, XLogP of 3.65, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)benzo[de]isoquinoline-1,3-dione is sourced from PubChem (CID 747246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).