2-(2-chloro-4-fluorophenyl)-4H-isoquinoline-1,3-dione

C15H9ClFNO2 — CID 2125517

IUPAC2-(2-chloro-4-fluorophenyl)-4H-isoquinoline-1,3-dione
SMILESO=C1Cc2ccccc2C(=O)N1c1ccc(F)cc1Cl
InChIInChI=1S/C15H9ClFNO2/c16-12-8-10(17)5-6-13(12)18-14(19)7-9-3-1-2-4-11(9)15(18)20/h1-6,8H,7H2
InChIKeyWNBYFPOLAZLHJN-UHFFFAOYSA-N
MW289.69 g/mol
LogP3.21
Rot. Bonds1

About 2-(2-chloro-4-fluorophenyl)-4H-isoquinoline-1,3-dione

2-(2-chloro-4-fluorophenyl)-4H-isoquinoline-1,3-dione (PubChem CID 2125517) has the molecular formula C15H9ClFNO2 and a molecular weight of 289.69 g/mol. Its IUPAC name is 2-(2-chloro-4-fluorophenyl)-4H-isoquinoline-1,3-dione.

Molecular Properties

Compound Name2-(2-chloro-4-fluorophenyl)-4H-isoquinoline-1,3-dione
PubChem CID2125517
Molecular FormulaC15H9ClFNO2
Molecular Weight289.69 g/mol
Exact Mass289.03
IUPAC Name2-(2-chloro-4-fluorophenyl)-4H-isoquinoline-1,3-dione
SMILESO=C1Cc2ccccc2C(=O)N1c1ccc(F)cc1Cl
InChIInChI=1S/C15H9ClFNO2/c16-12-8-10(17)5-6-13(12)18-14(19)7-9-3-1-2-4-11(9)15(18)20/h1-6,8H,7H2
InChIKeyWNBYFPOLAZLHJN-UHFFFAOYSA-N
XLogP3.21
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.69
LogP ≤ 53.21
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

2-(2-Chlorophenyl)-2,3-dihydrophthalazine-1,4-dione
CID 623370
2-(4-Methylphenyl)isoquinoline-1,3(2H,4H)-dione
CID 3739108
4H-Isoquinoline-1,3-dione, 2-(3-chlorophenyl)-
CID 185484
2-(2-Chlorophenyl)-4,4-dimethylisoquinoline-1,3(2H,4H)-dione
CID 2325104
2-o-Tolyl-4H-isoquinoline-1,3-dione
CID 3811962
2-(2-Fluorophenyl)-4,4-dimethylisoquinoline-1,3(2H,4H)-dione
CID 5067753
2-Phenylisoquinoline-1,3(2h,4h)-dione
CID 276114
Tesicam
CID 30860
(2-Chloro-4,5-difluoro-phenyl)-(3,4-dihydro-2H-quinolin-1-yl)-methanone
CID 790863
1,3(2H,4H)-Isoquinolinedione, 2-(3-methylphenyl)-
CID 2302143
4,4-Dimethyl-2-phenylisoquinoline-1,3-dione
CID 4180255
N-(2-chlorophenyl)-3-fluorobenzamide
CID 242883

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-fluorophenyl)-4H-isoquinoline-1,3-dione?
The IUPAC name of 2-(2-chloro-4-fluorophenyl)-4H-isoquinoline-1,3-dione (CID 2125517) is 2-(2-chloro-4-fluorophenyl)-4H-isoquinoline-1,3-dione.
What is the SMILES notation for 2-(2-chloro-4-fluorophenyl)-4H-isoquinoline-1,3-dione?
The canonical SMILES for 2-(2-chloro-4-fluorophenyl)-4H-isoquinoline-1,3-dione is O=C1Cc2ccccc2C(=O)N1c1ccc(F)cc1Cl.
What is the InChIKey of 2-(2-chloro-4-fluorophenyl)-4H-isoquinoline-1,3-dione?
The InChIKey is WNBYFPOLAZLHJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9ClFNO2/c16-12-8-10(17)5-6-13(12)18-14(19)7-9-3-1-2-4-11(9)15(18)20/h1-6,8H,7H2.
What are the key properties of 2-(2-chloro-4-fluorophenyl)-4H-isoquinoline-1,3-dione?
2-(2-chloro-4-fluorophenyl)-4H-isoquinoline-1,3-dione has a molecular weight of 289.69 g/mol, XLogP of 3.21, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-fluorophenyl)-4H-isoquinoline-1,3-dione is sourced from PubChem (CID 2125517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).