6-(methylamino)-2-(1-methylpiperidin-4-yl)benzo[de]isoquinoline-1,3-dione

C19H21N3O2 — CID 19769371

IUPAC6-(methylamino)-2-(1-methylpiperidin-4-yl)benzo[de]isoquinoline-1,3-dione
SMILESCNc1ccc2c3c(cccc13)C(=O)N(C1CCN(C)CC1)C2=O
InChIInChI=1S/C19H21N3O2/c1-20-16-7-6-15-17-13(16)4-3-5-14(17)18(23)22(19(15)24)12-8-10-21(2)11-9-12/h3-7,12,20H,8-11H2,1-2H3
InChIKeyVVOWAQHUFVQEQM-UHFFFAOYSA-N
MW323.40 g/mol
LogP2.57
Rot. Bonds2

About 6-(methylamino)-2-(1-methylpiperidin-4-yl)benzo[de]isoquinoline-1,3-dione

6-(methylamino)-2-(1-methylpiperidin-4-yl)benzo[de]isoquinoline-1,3-dione (PubChem CID 19769371) has the molecular formula C19H21N3O2 and a molecular weight of 323.40 g/mol. Its IUPAC name is 6-(methylamino)-2-(1-methylpiperidin-4-yl)benzo[de]isoquinoline-1,3-dione.

Molecular Properties

Compound Name6-(methylamino)-2-(1-methylpiperidin-4-yl)benzo[de]isoquinoline-1,3-dione
PubChem CID19769371
Molecular FormulaC19H21N3O2
Molecular Weight323.40 g/mol
Exact Mass323.16
IUPAC Name6-(methylamino)-2-(1-methylpiperidin-4-yl)benzo[de]isoquinoline-1,3-dione
SMILESCNc1ccc2c3c(cccc13)C(=O)N(C1CCN(C)CC1)C2=O
InChIInChI=1S/C19H21N3O2/c1-20-16-7-6-15-17-13(16)4-3-5-14(17)18(23)22(19(15)24)12-8-10-21(2)11-9-12/h3-7,12,20H,8-11H2,1-2H3
InChIKeyVVOWAQHUFVQEQM-UHFFFAOYSA-N
XLogP2.57
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 6-(methylamino)-2-(1-methylpiperidin-4-yl)benzo[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-(methylamino)-2-(1-methylpiperidin-4-yl)benzo[de]isoquinoline-1,3-dione?
The IUPAC name of 6-(methylamino)-2-(1-methylpiperidin-4-yl)benzo[de]isoquinoline-1,3-dione (CID 19769371) is 6-(methylamino)-2-(1-methylpiperidin-4-yl)benzo[de]isoquinoline-1,3-dione.
What is the SMILES notation for 6-(methylamino)-2-(1-methylpiperidin-4-yl)benzo[de]isoquinoline-1,3-dione?
The canonical SMILES for 6-(methylamino)-2-(1-methylpiperidin-4-yl)benzo[de]isoquinoline-1,3-dione is CNc1ccc2c3c(cccc13)C(=O)N(C1CCN(C)CC1)C2=O.
What is the InChIKey of 6-(methylamino)-2-(1-methylpiperidin-4-yl)benzo[de]isoquinoline-1,3-dione?
The InChIKey is VVOWAQHUFVQEQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2/c1-20-16-7-6-15-17-13(16)4-3-5-14(17)18(23)22(19(15)24)12-8-10-21(2)11-9-12/h3-7,12,20H,8-11H2,1-2H3.
What are the key properties of 6-(methylamino)-2-(1-methylpiperidin-4-yl)benzo[de]isoquinoline-1,3-dione?
6-(methylamino)-2-(1-methylpiperidin-4-yl)benzo[de]isoquinoline-1,3-dione has a molecular weight of 323.40 g/mol, XLogP of 2.57, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(methylamino)-2-(1-methylpiperidin-4-yl)benzo[de]isoquinoline-1,3-dione is sourced from PubChem (CID 19769371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).