6-methyl-2-phenylbenzo[de]isoquinoline-1,3-dione

C19H13NO2 — CID 59514413

IUPAC6-methyl-2-phenylbenzo[de]isoquinoline-1,3-dione
SMILESCc1ccc2c3c(cccc13)C(=O)N(c1ccccc1)C2=O
InChIInChI=1S/C19H13NO2/c1-12-10-11-16-17-14(12)8-5-9-15(17)18(21)20(19(16)22)13-6-3-2-4-7-13/h2-11H,1H3
InChIKeyGXOQRYNWLJCXSU-UHFFFAOYSA-N
MW287.32 g/mol
LogP3.95
Rot. Bonds1

About 6-methyl-2-phenylbenzo[de]isoquinoline-1,3-dione

6-methyl-2-phenylbenzo[de]isoquinoline-1,3-dione (PubChem CID 59514413) has the molecular formula C19H13NO2 and a molecular weight of 287.32 g/mol. Its IUPAC name is 6-methyl-2-phenylbenzo[de]isoquinoline-1,3-dione.

Molecular Properties

Compound Name6-methyl-2-phenylbenzo[de]isoquinoline-1,3-dione
PubChem CID59514413
Molecular FormulaC19H13NO2
Molecular Weight287.32 g/mol
Exact Mass287.09
IUPAC Name6-methyl-2-phenylbenzo[de]isoquinoline-1,3-dione
SMILESCc1ccc2c3c(cccc13)C(=O)N(c1ccccc1)C2=O
InChIInChI=1S/C19H13NO2/c1-12-10-11-16-17-14(12)8-5-9-15(17)18(21)20(19(16)22)13-6-3-2-4-7-13/h2-11H,1H3
InChIKeyGXOQRYNWLJCXSU-UHFFFAOYSA-N
XLogP3.95
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-phenylbenzo[de]isoquinoline-1,3-dione?
The IUPAC name of 6-methyl-2-phenylbenzo[de]isoquinoline-1,3-dione (CID 59514413) is 6-methyl-2-phenylbenzo[de]isoquinoline-1,3-dione.
What is the SMILES notation for 6-methyl-2-phenylbenzo[de]isoquinoline-1,3-dione?
The canonical SMILES for 6-methyl-2-phenylbenzo[de]isoquinoline-1,3-dione is Cc1ccc2c3c(cccc13)C(=O)N(c1ccccc1)C2=O.
What is the InChIKey of 6-methyl-2-phenylbenzo[de]isoquinoline-1,3-dione?
The InChIKey is GXOQRYNWLJCXSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13NO2/c1-12-10-11-16-17-14(12)8-5-9-15(17)18(21)20(19(16)22)13-6-3-2-4-7-13/h2-11H,1H3.
What are the key properties of 6-methyl-2-phenylbenzo[de]isoquinoline-1,3-dione?
6-methyl-2-phenylbenzo[de]isoquinoline-1,3-dione has a molecular weight of 287.32 g/mol, XLogP of 3.95, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-phenylbenzo[de]isoquinoline-1,3-dione is sourced from PubChem (CID 59514413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).