6-chloro-2-ethylbenzo[de]isoquinoline-1,3-dione

C14H10ClNO2 — CID 2842933

IUPAC6-chloro-2-ethylbenzo[de]isoquinoline-1,3-dione
SMILESCCN1C(=O)c2cccc3c(Cl)ccc(c23)C1=O
InChIInChI=1S/C14H10ClNO2/c1-2-16-13(17)9-5-3-4-8-11(15)7-6-10(12(8)9)14(16)18/h3-7H,2H2,1H3
InChIKeyWSCRTPWHGXXZQR-UHFFFAOYSA-N
MW259.69 g/mol
LogP3.11
Rot. Bonds1

About 6-chloro-2-ethylbenzo[de]isoquinoline-1,3-dione

6-chloro-2-ethylbenzo[de]isoquinoline-1,3-dione (PubChem CID 2842933) has the molecular formula C14H10ClNO2 and a molecular weight of 259.69 g/mol. Its IUPAC name is 6-chloro-2-ethylbenzo[de]isoquinoline-1,3-dione.

Molecular Properties

Compound Name6-chloro-2-ethylbenzo[de]isoquinoline-1,3-dione
PubChem CID2842933
Molecular FormulaC14H10ClNO2
Molecular Weight259.69 g/mol
Exact Mass259.04
IUPAC Name6-chloro-2-ethylbenzo[de]isoquinoline-1,3-dione
SMILESCCN1C(=O)c2cccc3c(Cl)ccc(c23)C1=O
InChIInChI=1S/C14H10ClNO2/c1-2-16-13(17)9-5-3-4-8-11(15)7-6-10(12(8)9)14(16)18/h3-7H,2H2,1H3
InChIKeyWSCRTPWHGXXZQR-UHFFFAOYSA-N
XLogP3.11
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.69
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-chloro-2-ethylbenzo[de]isoquinoline-1,3-dione?
The IUPAC name of 6-chloro-2-ethylbenzo[de]isoquinoline-1,3-dione (CID 2842933) is 6-chloro-2-ethylbenzo[de]isoquinoline-1,3-dione.
What is the SMILES notation for 6-chloro-2-ethylbenzo[de]isoquinoline-1,3-dione?
The canonical SMILES for 6-chloro-2-ethylbenzo[de]isoquinoline-1,3-dione is CCN1C(=O)c2cccc3c(Cl)ccc(c23)C1=O.
What is the InChIKey of 6-chloro-2-ethylbenzo[de]isoquinoline-1,3-dione?
The InChIKey is WSCRTPWHGXXZQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClNO2/c1-2-16-13(17)9-5-3-4-8-11(15)7-6-10(12(8)9)14(16)18/h3-7H,2H2,1H3.
What are the key properties of 6-chloro-2-ethylbenzo[de]isoquinoline-1,3-dione?
6-chloro-2-ethylbenzo[de]isoquinoline-1,3-dione has a molecular weight of 259.69 g/mol, XLogP of 3.11, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-ethylbenzo[de]isoquinoline-1,3-dione is sourced from PubChem (CID 2842933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).