6,7-dichloro-2-(3-chloropropyl)-4-phenylphthalazin-1-one

C17H13Cl3N2O — CID 142711544

IUPAC6,7-dichloro-2-(3-chloropropyl)-4-phenylphthalazin-1-one
SMILESO=c1c2cc(Cl)c(Cl)cc2c(-c2ccccc2)nn1CCCCl
InChIInChI=1S/C17H13Cl3N2O/c18-7-4-8-22-17(23)13-10-15(20)14(19)9-12(13)16(21-22)11-5-2-1-3-6-11/h1-3,5-6,9-10H,4,7-8H2
InChIKeyNFMCLHWGUHTTTH-UHFFFAOYSA-N
MW367.66 g/mol
LogP5.00
Rot. Bonds4

About 6,7-dichloro-2-(3-chloropropyl)-4-phenylphthalazin-1-one

6,7-dichloro-2-(3-chloropropyl)-4-phenylphthalazin-1-one (PubChem CID 142711544) has the molecular formula C17H13Cl3N2O and a molecular weight of 367.66 g/mol. Its IUPAC name is 6,7-dichloro-2-(3-chloropropyl)-4-phenylphthalazin-1-one.

Molecular Properties

Compound Name6,7-dichloro-2-(3-chloropropyl)-4-phenylphthalazin-1-one
PubChem CID142711544
Molecular FormulaC17H13Cl3N2O
Molecular Weight367.66 g/mol
Exact Mass366.01
IUPAC Name6,7-dichloro-2-(3-chloropropyl)-4-phenylphthalazin-1-one
SMILESO=c1c2cc(Cl)c(Cl)cc2c(-c2ccccc2)nn1CCCCl
InChIInChI=1S/C17H13Cl3N2O/c18-7-4-8-22-17(23)13-10-15(20)14(19)9-12(13)16(21-22)11-5-2-1-3-6-11/h1-3,5-6,9-10H,4,7-8H2
InChIKeyNFMCLHWGUHTTTH-UHFFFAOYSA-N
XLogP5.00
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.66
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(4-chlorobutyl)-4-(4-chlorophenyl)phthalazin-1-one
CID 142711589
2-(3-chloropropyl)-4-(3-fluorophenyl)phthalazin-1-one
CID 142711548
2-(3-chloropropyl)-4-(furan-2-yl)phthalazin-1-one
CID 142713116
2-butyl-4-(3-chlorophenyl)phthalazin-1-one
CID 86166030
2-(3-chloropropyl)-4-phenylpyridazin-3-one
CID 156791318
dimethyl-[2-(1-oxo-4-phenylphthalazin-2-yl)ethyl]azanium chloride
CID 43834263
1-phenyl-3-propylthieno[3,4-d]pyridazin-4-one
CID 134113756
2-(3-chloropropyl)-4-(diethylamino)phthalazin-1-one
CID 142713782
2-[(2R)-3-(2,5-dichlorophenoxy)-2-hydroxypropyl]-4-phenylphthalazin-1-one
CID 26011478
4-benzyl-6,7-dichloro-2-methylphthalazin-1-one
CID 15959100
2-(1-oxo-4-phenylphthalazin-2-yl)acetate
CID 4052053
4-(1-oxo-4-pyridin-3-ylphthalazin-2-yl)butanoyl chloride
CID 10314393

Frequently Asked Questions

What is the IUPAC name of 6,7-dichloro-2-(3-chloropropyl)-4-phenylphthalazin-1-one?
The IUPAC name of 6,7-dichloro-2-(3-chloropropyl)-4-phenylphthalazin-1-one (CID 142711544) is 6,7-dichloro-2-(3-chloropropyl)-4-phenylphthalazin-1-one.
What is the SMILES notation for 6,7-dichloro-2-(3-chloropropyl)-4-phenylphthalazin-1-one?
The canonical SMILES for 6,7-dichloro-2-(3-chloropropyl)-4-phenylphthalazin-1-one is O=c1c2cc(Cl)c(Cl)cc2c(-c2ccccc2)nn1CCCCl.
What is the InChIKey of 6,7-dichloro-2-(3-chloropropyl)-4-phenylphthalazin-1-one?
The InChIKey is NFMCLHWGUHTTTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13Cl3N2O/c18-7-4-8-22-17(23)13-10-15(20)14(19)9-12(13)16(21-22)11-5-2-1-3-6-11/h1-3,5-6,9-10H,4,7-8H2.
What are the key properties of 6,7-dichloro-2-(3-chloropropyl)-4-phenylphthalazin-1-one?
6,7-dichloro-2-(3-chloropropyl)-4-phenylphthalazin-1-one has a molecular weight of 367.66 g/mol, XLogP of 5.00, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dichloro-2-(3-chloropropyl)-4-phenylphthalazin-1-one is sourced from PubChem (CID 142711544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).