2-(4-chlorophenyl)phthalazin-1-one

C14H9ClN2O — CID 519224

IUPAC2-(4-chlorophenyl)phthalazin-1-one
SMILESO=c1c2ccccc2cnn1-c1ccc(Cl)cc1
InChIInChI=1S/C14H9ClN2O/c15-11-5-7-12(8-6-11)17-14(18)13-4-2-1-3-10(13)9-16-17/h1-9H
InChIKeyQQJQSWFPMBORPH-UHFFFAOYSA-N
MW256.69 g/mol
LogP3.04
Rot. Bonds1

About 2-(4-chlorophenyl)phthalazin-1-one

2-(4-chlorophenyl)phthalazin-1-one (PubChem CID 519224) has the molecular formula C14H9ClN2O and a molecular weight of 256.69 g/mol. Its IUPAC name is 2-(4-chlorophenyl)phthalazin-1-one.

Molecular Properties

Compound Name2-(4-chlorophenyl)phthalazin-1-one
PubChem CID519224
Molecular FormulaC14H9ClN2O
Molecular Weight256.69 g/mol
Exact Mass256.04
IUPAC Name2-(4-chlorophenyl)phthalazin-1-one
SMILESO=c1c2ccccc2cnn1-c1ccc(Cl)cc1
InChIInChI=1S/C14H9ClN2O/c15-11-5-7-12(8-6-11)17-14(18)13-4-2-1-3-10(13)9-16-17/h1-9H
InChIKeyQQJQSWFPMBORPH-UHFFFAOYSA-N
XLogP3.04
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.69
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(2,4-dichloroanilino)methyl]-1(2H)-phthalazinone
CID 371946
2-(4-chlorophenyl)-3aH-pyrazolo[4,3-c]quinolin-3-one
CID 44273000
4-Methyl-2-phenyl-2H-phthalazin-1-one
CID 245552
2-(3-Chloro-4-methylphenyl)phthalazin-1-one
CID 2460931
2-(3,5-dichlorophenyl)-4-phenyl-1(2H)-phthalazinone
CID 2806485
2-(3,4-Dichloro-phenyl)-4-methyl-2H-phthalazin-1-one
CID 627678
N-(4-chlorophenyl)-2-(3-methyl-4-oxo-3,4-dihydrophthalazin-1-yl)acetamide
CID 718212
N-(3,4-dichlorophenyl)-2-(3-methyl-4-oxo-3,4-dihydrophthalazin-1-yl)acetamide
CID 2991140
N-(4-chloro-3-fluoro-phenyl)-2-(3-methyl-4-oxo-phthalazin-1-yl)acetamide
CID 70851046
N-(4-chloro-3-methyl-phenyl)-2-(3-methyl-4-oxo-phthalazin-1-yl)acetamide
CID 71552094
2-(4-chlorophenyl)-4-methyl-1(2H)-phthalazinone
CID 3454514
2-(2-Amino-5-chlorophenyl)-4-methylphthalazin-1-one
CID 672421

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)phthalazin-1-one?
The IUPAC name of 2-(4-chlorophenyl)phthalazin-1-one (CID 519224) is 2-(4-chlorophenyl)phthalazin-1-one.
What is the SMILES notation for 2-(4-chlorophenyl)phthalazin-1-one?
The canonical SMILES for 2-(4-chlorophenyl)phthalazin-1-one is O=c1c2ccccc2cnn1-c1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)phthalazin-1-one?
The InChIKey is QQJQSWFPMBORPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClN2O/c15-11-5-7-12(8-6-11)17-14(18)13-4-2-1-3-10(13)9-16-17/h1-9H.
What are the key properties of 2-(4-chlorophenyl)phthalazin-1-one?
2-(4-chlorophenyl)phthalazin-1-one has a molecular weight of 256.69 g/mol, XLogP of 3.04, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)phthalazin-1-one is sourced from PubChem (CID 519224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).