6-(dimethylamino)-2-methylbenzo[de]isoquinoline-1,3-dione

C15H14N2O2 — CID 2849973

IUPAC6-(dimethylamino)-2-methylbenzo[de]isoquinoline-1,3-dione
SMILESCN1C(=O)c2cccc3c(N(C)C)ccc(c23)C1=O
InChIInChI=1S/C15H14N2O2/c1-16(2)12-8-7-11-13-9(12)5-4-6-10(13)14(18)17(3)15(11)19/h4-8H,1-3H3
InChIKeyUZGRZBNVWDDNAK-UHFFFAOYSA-N
MW254.29 g/mol
LogP2.13
Rot. Bonds1

About 6-(dimethylamino)-2-methylbenzo[de]isoquinoline-1,3-dione

6-(dimethylamino)-2-methylbenzo[de]isoquinoline-1,3-dione (PubChem CID 2849973) has the molecular formula C15H14N2O2 and a molecular weight of 254.29 g/mol. Its IUPAC name is 6-(dimethylamino)-2-methylbenzo[de]isoquinoline-1,3-dione.

Molecular Properties

Compound Name6-(dimethylamino)-2-methylbenzo[de]isoquinoline-1,3-dione
PubChem CID2849973
Molecular FormulaC15H14N2O2
Molecular Weight254.29 g/mol
Exact Mass254.11
IUPAC Name6-(dimethylamino)-2-methylbenzo[de]isoquinoline-1,3-dione
SMILESCN1C(=O)c2cccc3c(N(C)C)ccc(c23)C1=O
InChIInChI=1S/C15H14N2O2/c1-16(2)12-8-7-11-13-9(12)5-4-6-10(13)14(18)17(3)15(11)19/h4-8H,1-3H3
InChIKeyUZGRZBNVWDDNAK-UHFFFAOYSA-N
XLogP2.13
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 52.13
H-Bond Donors ≤ 50
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 6-(dimethylamino)-2-methylbenzo[de]isoquinoline-1,3-dione?
The IUPAC name of 6-(dimethylamino)-2-methylbenzo[de]isoquinoline-1,3-dione (CID 2849973) is 6-(dimethylamino)-2-methylbenzo[de]isoquinoline-1,3-dione.
What is the SMILES notation for 6-(dimethylamino)-2-methylbenzo[de]isoquinoline-1,3-dione?
The canonical SMILES for 6-(dimethylamino)-2-methylbenzo[de]isoquinoline-1,3-dione is CN1C(=O)c2cccc3c(N(C)C)ccc(c23)C1=O.
What is the InChIKey of 6-(dimethylamino)-2-methylbenzo[de]isoquinoline-1,3-dione?
The InChIKey is UZGRZBNVWDDNAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O2/c1-16(2)12-8-7-11-13-9(12)5-4-6-10(13)14(18)17(3)15(11)19/h4-8H,1-3H3.
What are the key properties of 6-(dimethylamino)-2-methylbenzo[de]isoquinoline-1,3-dione?
6-(dimethylamino)-2-methylbenzo[de]isoquinoline-1,3-dione has a molecular weight of 254.29 g/mol, XLogP of 2.13, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(dimethylamino)-2-methylbenzo[de]isoquinoline-1,3-dione is sourced from PubChem (CID 2849973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).