6-(2-aminoethyl)-2-ethylbenzo[de]isoquinoline-1,3-dione

C16H16N2O2 — CID 19103875

IUPAC6-(2-aminoethyl)-2-ethylbenzo[de]isoquinoline-1,3-dione
SMILESCCN1C(=O)c2cccc3c(CCN)ccc(c23)C1=O
InChIInChI=1S/C16H16N2O2/c1-2-18-15(19)12-5-3-4-11-10(8-9-17)6-7-13(14(11)12)16(18)20/h3-7H,2,8-9,17H2,1H3
InChIKeyXNJAILSGCQKGHY-UHFFFAOYSA-N
MW268.32 g/mol
LogP1.96
Rot. Bonds3

About 6-(2-aminoethyl)-2-ethylbenzo[de]isoquinoline-1,3-dione

6-(2-aminoethyl)-2-ethylbenzo[de]isoquinoline-1,3-dione (PubChem CID 19103875) has the molecular formula C16H16N2O2 and a molecular weight of 268.32 g/mol. Its IUPAC name is 6-(2-aminoethyl)-2-ethylbenzo[de]isoquinoline-1,3-dione.

Molecular Properties

Compound Name6-(2-aminoethyl)-2-ethylbenzo[de]isoquinoline-1,3-dione
PubChem CID19103875
Molecular FormulaC16H16N2O2
Molecular Weight268.32 g/mol
Exact Mass268.12
IUPAC Name6-(2-aminoethyl)-2-ethylbenzo[de]isoquinoline-1,3-dione
SMILESCCN1C(=O)c2cccc3c(CCN)ccc(c23)C1=O
InChIInChI=1S/C16H16N2O2/c1-2-18-15(19)12-5-3-4-11-10(8-9-17)6-7-13(14(11)12)16(18)20/h3-7H,2,8-9,17H2,1H3
InChIKeyXNJAILSGCQKGHY-UHFFFAOYSA-N
XLogP1.96
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 6-(2-aminoethyl)-2-ethylbenzo[de]isoquinoline-1,3-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-(2-aminoethyl)-2-ethylbenzo[de]isoquinoline-1,3-dione?
The IUPAC name of 6-(2-aminoethyl)-2-ethylbenzo[de]isoquinoline-1,3-dione (CID 19103875) is 6-(2-aminoethyl)-2-ethylbenzo[de]isoquinoline-1,3-dione.
What is the SMILES notation for 6-(2-aminoethyl)-2-ethylbenzo[de]isoquinoline-1,3-dione?
The canonical SMILES for 6-(2-aminoethyl)-2-ethylbenzo[de]isoquinoline-1,3-dione is CCN1C(=O)c2cccc3c(CCN)ccc(c23)C1=O.
What is the InChIKey of 6-(2-aminoethyl)-2-ethylbenzo[de]isoquinoline-1,3-dione?
The InChIKey is XNJAILSGCQKGHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2/c1-2-18-15(19)12-5-3-4-11-10(8-9-17)6-7-13(14(11)12)16(18)20/h3-7H,2,8-9,17H2,1H3.
What are the key properties of 6-(2-aminoethyl)-2-ethylbenzo[de]isoquinoline-1,3-dione?
6-(2-aminoethyl)-2-ethylbenzo[de]isoquinoline-1,3-dione has a molecular weight of 268.32 g/mol, XLogP of 1.96, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-aminoethyl)-2-ethylbenzo[de]isoquinoline-1,3-dione is sourced from PubChem (CID 19103875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).