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

C18H10ClNO2 — CID 745273

IUPAC2-(2-chlorophenyl)benzo[de]isoquinoline-1,3-dione
SMILESO=C1c2cccc3cccc(c23)C(=O)N1c1ccccc1Cl
InChIInChI=1S/C18H10ClNO2/c19-14-9-1-2-10-15(14)20-17(21)12-7-3-5-11-6-4-8-13(16(11)12)18(20)22/h1-10H
InChIKeyXIGZJWBBMFBHIG-UHFFFAOYSA-N
MW307.74 g/mol
LogP4.29
Rot. Bonds1

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

2-(2-chlorophenyl)benzo[de]isoquinoline-1,3-dione (PubChem CID 745273) has the molecular formula C18H10ClNO2 and a molecular weight of 307.74 g/mol. Its IUPAC name is 2-(2-chlorophenyl)benzo[de]isoquinoline-1,3-dione.

Molecular Properties

Compound Name2-(2-chlorophenyl)benzo[de]isoquinoline-1,3-dione
PubChem CID745273
Molecular FormulaC18H10ClNO2
Molecular Weight307.74 g/mol
Exact Mass307.04
IUPAC Name2-(2-chlorophenyl)benzo[de]isoquinoline-1,3-dione
SMILESO=C1c2cccc3cccc(c23)C(=O)N1c1ccccc1Cl
InChIInChI=1S/C18H10ClNO2/c19-14-9-1-2-10-15(14)20-17(21)12-7-3-5-11-6-4-8-13(16(11)12)18(20)22/h1-10H
InChIKeyXIGZJWBBMFBHIG-UHFFFAOYSA-N
XLogP4.29
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.74
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2,4-dichlorophenyl)naphthalene-2-carboxamide
CID 1101328
N-[4-[4-(2-chlorophenyl)piperazin-1-yl]butyl]naphthalene-2-carboxamide
CID 11384664
4H-Isoquinoline-1,3-dione, 2-(3-chlorophenyl)-
CID 185484
2-(2-Chlorophenyl)-4,4-dimethyl-1,2,3,4-tetrahydroisoquinoline-1,3-dione
CID 2325104
Pigment Red 189
CID 75415
2-(3,4,5-Trichlorophenyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione
CID 52952988
N-(2-chlorophenyl)-2-naphthamide
CID 832568
2-benzyl-N-(2-chlorophenyl)benzamide
CID 2121099
4-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)-N-methyl-N-phenylbutanamide
CID 3625336
2-[4-[4-(2-Chlorophenyl)piperazin-1-yl]butyl]-3,4-dihydroisoquinolin-1-one
CID 25256815
2-(4-Chlorophenyl)-4,4-diethylisoquinoline-1,3(2H,4H)-DIONE
CID 44568081
2-(4-Chlorophenyl)-4,4-dipropylisoquinoline-1,3(2H,4H)-dione
CID 44568082

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)benzo[de]isoquinoline-1,3-dione?
The IUPAC name of 2-(2-chlorophenyl)benzo[de]isoquinoline-1,3-dione (CID 745273) is 2-(2-chlorophenyl)benzo[de]isoquinoline-1,3-dione.
What is the SMILES notation for 2-(2-chlorophenyl)benzo[de]isoquinoline-1,3-dione?
The canonical SMILES for 2-(2-chlorophenyl)benzo[de]isoquinoline-1,3-dione is O=C1c2cccc3cccc(c23)C(=O)N1c1ccccc1Cl.
What is the InChIKey of 2-(2-chlorophenyl)benzo[de]isoquinoline-1,3-dione?
The InChIKey is XIGZJWBBMFBHIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10ClNO2/c19-14-9-1-2-10-15(14)20-17(21)12-7-3-5-11-6-4-8-13(16(11)12)18(20)22/h1-10H.
What are the key properties of 2-(2-chlorophenyl)benzo[de]isoquinoline-1,3-dione?
2-(2-chlorophenyl)benzo[de]isoquinoline-1,3-dione has a molecular weight of 307.74 g/mol, XLogP of 4.29, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)benzo[de]isoquinoline-1,3-dione is sourced from PubChem (CID 745273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).