2-(3-chloropropyl)benzo[de]isoquinoline-1,3-dione

C15H12ClNO2 — CID 617188

IUPAC2-(3-chloropropyl)benzo[de]isoquinoline-1,3-dione
SMILESO=C1c2cccc3cccc(c23)C(=O)N1CCCCl
InChIInChI=1S/C15H12ClNO2/c16-8-3-9-17-14(18)11-6-1-4-10-5-2-7-12(13(10)11)15(17)19/h1-2,4-7H,3,8-9H2
InChIKeyCPRJKZMNQLSRAI-UHFFFAOYSA-N
MW273.72 g/mol
LogP3.06
Rot. Bonds3

About 2-(3-chloropropyl)benzo[de]isoquinoline-1,3-dione

2-(3-chloropropyl)benzo[de]isoquinoline-1,3-dione (PubChem CID 617188) has the molecular formula C15H12ClNO2 and a molecular weight of 273.72 g/mol. Its IUPAC name is 2-(3-chloropropyl)benzo[de]isoquinoline-1,3-dione.

Molecular Properties

Compound Name2-(3-chloropropyl)benzo[de]isoquinoline-1,3-dione
PubChem CID617188
Molecular FormulaC15H12ClNO2
Molecular Weight273.72 g/mol
Exact Mass273.06
IUPAC Name2-(3-chloropropyl)benzo[de]isoquinoline-1,3-dione
SMILESO=C1c2cccc3cccc(c23)C(=O)N1CCCCl
InChIInChI=1S/C15H12ClNO2/c16-8-3-9-17-14(18)11-6-1-4-10-5-2-7-12(13(10)11)15(17)19/h1-2,4-7H,3,8-9H2
InChIKeyCPRJKZMNQLSRAI-UHFFFAOYSA-N
XLogP3.06
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.72
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(3-chloropropyl)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

Related Compounds

Alrestatin
CID 2120
Naphthalimide
CID 66491
Virstatin
CID 145949
Scriptaid
CID 5186
N-Hydroxynaphthalimide
CID 82263
3-Azatricyclo[7.3.1.0,5,13]trideca-1(12),5(13),6,8,10-pentaen-2-one
CID 10130246
2-Benzyl-1H-benzo(de)isoquinoline-1,3(2H)-dione
CID 267579
2-Naphthalenyl-1-piperidinylmethanone
CID 593461
2-(3-Dimethylamino-propyl)-benzo[de]isoquinoline-1,3-dione
CID 2834616
Azonafide
CID 9948896
2-Naphthalimidoethyl alcohol
CID 223681
n,n-(1,8-naphthalyl)hydroxylamine sodium salt
CID 23689369

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloropropyl)benzo[de]isoquinoline-1,3-dione?
The IUPAC name of 2-(3-chloropropyl)benzo[de]isoquinoline-1,3-dione (CID 617188) is 2-(3-chloropropyl)benzo[de]isoquinoline-1,3-dione.
What is the SMILES notation for 2-(3-chloropropyl)benzo[de]isoquinoline-1,3-dione?
The canonical SMILES for 2-(3-chloropropyl)benzo[de]isoquinoline-1,3-dione is O=C1c2cccc3cccc(c23)C(=O)N1CCCCl.
What is the InChIKey of 2-(3-chloropropyl)benzo[de]isoquinoline-1,3-dione?
The InChIKey is CPRJKZMNQLSRAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClNO2/c16-8-3-9-17-14(18)11-6-1-4-10-5-2-7-12(13(10)11)15(17)19/h1-2,4-7H,3,8-9H2.
What are the key properties of 2-(3-chloropropyl)benzo[de]isoquinoline-1,3-dione?
2-(3-chloropropyl)benzo[de]isoquinoline-1,3-dione has a molecular weight of 273.72 g/mol, XLogP of 3.06, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloropropyl)benzo[de]isoquinoline-1,3-dione is sourced from PubChem (CID 617188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).