2-methyl-6-(methylamino)benzo[de]isoquinoline-1,3-dione

C14H12N2O2 — CID 3109741

IUPAC2-methyl-6-(methylamino)benzo[de]isoquinoline-1,3-dione
SMILESCNc1ccc2c3c(cccc13)C(=O)N(C)C2=O
InChIInChI=1S/C14H12N2O2/c1-15-11-7-6-10-12-8(11)4-3-5-9(12)13(17)16(2)14(10)18/h3-7,15H,1-2H3
InChIKeyNIHBGKWUSHKFSP-UHFFFAOYSA-N
MW240.26 g/mol
LogP2.11
Rot. Bonds1

About 2-methyl-6-(methylamino)benzo[de]isoquinoline-1,3-dione

2-methyl-6-(methylamino)benzo[de]isoquinoline-1,3-dione (PubChem CID 3109741) has the molecular formula C14H12N2O2 and a molecular weight of 240.26 g/mol. Its IUPAC name is 2-methyl-6-(methylamino)benzo[de]isoquinoline-1,3-dione.

Molecular Properties

Compound Name2-methyl-6-(methylamino)benzo[de]isoquinoline-1,3-dione
PubChem CID3109741
Molecular FormulaC14H12N2O2
Molecular Weight240.26 g/mol
Exact Mass240.09
IUPAC Name2-methyl-6-(methylamino)benzo[de]isoquinoline-1,3-dione
SMILESCNc1ccc2c3c(cccc13)C(=O)N(C)C2=O
InChIInChI=1S/C14H12N2O2/c1-15-11-7-6-10-12-8(11)4-3-5-9(12)13(17)16(2)14(10)18/h3-7,15H,1-2H3
InChIKeyNIHBGKWUSHKFSP-UHFFFAOYSA-N
XLogP2.11
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-(methylamino)benzo[de]isoquinoline-1,3-dione?
The IUPAC name of 2-methyl-6-(methylamino)benzo[de]isoquinoline-1,3-dione (CID 3109741) is 2-methyl-6-(methylamino)benzo[de]isoquinoline-1,3-dione.
What is the SMILES notation for 2-methyl-6-(methylamino)benzo[de]isoquinoline-1,3-dione?
The canonical SMILES for 2-methyl-6-(methylamino)benzo[de]isoquinoline-1,3-dione is CNc1ccc2c3c(cccc13)C(=O)N(C)C2=O.
What is the InChIKey of 2-methyl-6-(methylamino)benzo[de]isoquinoline-1,3-dione?
The InChIKey is NIHBGKWUSHKFSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O2/c1-15-11-7-6-10-12-8(11)4-3-5-9(12)13(17)16(2)14(10)18/h3-7,15H,1-2H3.
What are the key properties of 2-methyl-6-(methylamino)benzo[de]isoquinoline-1,3-dione?
2-methyl-6-(methylamino)benzo[de]isoquinoline-1,3-dione has a molecular weight of 240.26 g/mol, XLogP of 2.11, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(methylamino)benzo[de]isoquinoline-1,3-dione is sourced from PubChem (CID 3109741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).