4-[(4-fluorophenyl)methyl]-2-(4-methoxyphenyl)phthalazin-1-one

C22H17FN2O2 — CID 110192745

IUPAC4-[(4-fluorophenyl)methyl]-2-(4-methoxyphenyl)phthalazin-1-one
SMILESCOc1ccc(-n2nc(Cc3ccc(F)cc3)c3ccccc3c2=O)cc1
InChIInChI=1S/C22H17FN2O2/c1-27-18-12-10-17(11-13-18)25-22(26)20-5-3-2-4-19(20)21(24-25)14-15-6-8-16(23)9-7-15/h2-13H,14H2,1H3
InChIKeyZVFINFPDXOQJCJ-UHFFFAOYSA-N
MW360.39 g/mol
LogP4.12
Rot. Bonds4

About 4-[(4-fluorophenyl)methyl]-2-(4-methoxyphenyl)phthalazin-1-one

4-[(4-fluorophenyl)methyl]-2-(4-methoxyphenyl)phthalazin-1-one (PubChem CID 110192745) has the molecular formula C22H17FN2O2 and a molecular weight of 360.39 g/mol. Its IUPAC name is 4-[(4-fluorophenyl)methyl]-2-(4-methoxyphenyl)phthalazin-1-one.

Molecular Properties

Compound Name4-[(4-fluorophenyl)methyl]-2-(4-methoxyphenyl)phthalazin-1-one
PubChem CID110192745
Molecular FormulaC22H17FN2O2
Molecular Weight360.39 g/mol
Exact Mass360.13
IUPAC Name4-[(4-fluorophenyl)methyl]-2-(4-methoxyphenyl)phthalazin-1-one
SMILESCOc1ccc(-n2nc(Cc3ccc(F)cc3)c3ccccc3c2=O)cc1
InChIInChI=1S/C22H17FN2O2/c1-27-18-12-10-17(11-13-18)25-22(26)20-5-3-2-4-19(20)21(24-25)14-15-6-8-16(23)9-7-15/h2-13H,14H2,1H3
InChIKeyZVFINFPDXOQJCJ-UHFFFAOYSA-N
XLogP4.12
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.39
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(4-methoxyphenyl)methyl]-2-[4-[4-[(4-methoxyphenyl)methylideneamino]phenyl]phenyl]phthalazin-1-one
CID 132522445
N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-3-(4-methoxyphenyl)-4-oxophthalazine-1-carboxamide
CID 4229933
2-butyl-4-[(4-methoxyphenyl)methyl]phthalazin-1-one
CID 15959123
4-[(4-fluorophenyl)methyl]-2-pyridin-1-ium-2-ylphthalazin-1-one chloride
CID 110188098
4-[(4-chlorophenyl)methyl]-2-(2,4-difluorophenyl)phthalazin-1-one
CID 110192765
N-[2-(2,4-difluoroanilino)-2-oxoethyl]-3-(4-methoxyphenyl)-4-oxophthalazine-1-carboxamide
CID 126478832
4-(hydroxymethyl)-2-phenylphthalazin-1-one
CID 12649918
5-[(4-fluorophenyl)methyl]-1-(4-methoxyphenyl)triazole-4-carbaldehyde
CID 94937033
N-ethyl-N-[(4-methoxyphenyl)methyl]-4-oxo-3-phenylphthalazine-1-carboxamide
CID 55593523
benzyl-[4-[(4-fluorophenyl)methyl]-1-oxophthalazin-2-yl]carbamic acid
CID 21262536
3-(3,5-dimethoxyphenyl)-N-(4-fluorophenyl)-4-oxophthalazine-1-carboxamide
CID 15992156
4-(azepane-1-carbonyl)-2-(4-methoxyphenyl)phthalazin-1-one
CID 5130604

Frequently Asked Questions

What is the IUPAC name of 4-[(4-fluorophenyl)methyl]-2-(4-methoxyphenyl)phthalazin-1-one?
The IUPAC name of 4-[(4-fluorophenyl)methyl]-2-(4-methoxyphenyl)phthalazin-1-one (CID 110192745) is 4-[(4-fluorophenyl)methyl]-2-(4-methoxyphenyl)phthalazin-1-one.
What is the SMILES notation for 4-[(4-fluorophenyl)methyl]-2-(4-methoxyphenyl)phthalazin-1-one?
The canonical SMILES for 4-[(4-fluorophenyl)methyl]-2-(4-methoxyphenyl)phthalazin-1-one is COc1ccc(-n2nc(Cc3ccc(F)cc3)c3ccccc3c2=O)cc1.
What is the InChIKey of 4-[(4-fluorophenyl)methyl]-2-(4-methoxyphenyl)phthalazin-1-one?
The InChIKey is ZVFINFPDXOQJCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17FN2O2/c1-27-18-12-10-17(11-13-18)25-22(26)20-5-3-2-4-19(20)21(24-25)14-15-6-8-16(23)9-7-15/h2-13H,14H2,1H3.
What are the key properties of 4-[(4-fluorophenyl)methyl]-2-(4-methoxyphenyl)phthalazin-1-one?
4-[(4-fluorophenyl)methyl]-2-(4-methoxyphenyl)phthalazin-1-one has a molecular weight of 360.39 g/mol, XLogP of 4.12, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-fluorophenyl)methyl]-2-(4-methoxyphenyl)phthalazin-1-one is sourced from PubChem (CID 110192745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).