7-fluoro-4-[[4-fluoro-3-(3-hydroxy-3-methyl-2-oxoindol-1-yl)phenyl]methyl]-2H-phthalazin-1-one

C24H17F2N3O3 — CID 166492246

IUPAC7-fluoro-4-[[4-fluoro-3-(3-hydroxy-3-methyl-2-oxoindol-1-yl)phenyl]methyl]-2H-phthalazin-1-one
SMILESCC1(O)C(=O)N(c2cc(Cc3n[nH]c(=O)c4cc(F)ccc34)ccc2F)c2ccccc21
InChIInChI=1S/C24H17F2N3O3/c1-24(32)17-4-2-3-5-20(17)29(23(24)31)21-11-13(6-9-18(21)26)10-19-15-8-7-14(25)12-16(15)22(30)28-27-19/h2-9,11-12,32H,10H2,1H3,(H,28,30)
InChIKeyQVKUGEXQMYVPQL-UHFFFAOYSA-N
MW433.41 g/mol
LogP3.68
Rot. Bonds3

About 7-fluoro-4-[[4-fluoro-3-(3-hydroxy-3-methyl-2-oxoindol-1-yl)phenyl]methyl]-2H-phthalazin-1-one

7-fluoro-4-[[4-fluoro-3-(3-hydroxy-3-methyl-2-oxoindol-1-yl)phenyl]methyl]-2H-phthalazin-1-one (PubChem CID 166492246) has the molecular formula C24H17F2N3O3 and a molecular weight of 433.41 g/mol. Its IUPAC name is 7-fluoro-4-[[4-fluoro-3-(3-hydroxy-3-methyl-2-oxoindol-1-yl)phenyl]methyl]-2H-phthalazin-1-one.

Molecular Properties

Compound Name7-fluoro-4-[[4-fluoro-3-(3-hydroxy-3-methyl-2-oxoindol-1-yl)phenyl]methyl]-2H-phthalazin-1-one
PubChem CID166492246
Molecular FormulaC24H17F2N3O3
Molecular Weight433.41 g/mol
Exact Mass433.12
IUPAC Name7-fluoro-4-[[4-fluoro-3-(3-hydroxy-3-methyl-2-oxoindol-1-yl)phenyl]methyl]-2H-phthalazin-1-one
SMILESCC1(O)C(=O)N(c2cc(Cc3n[nH]c(=O)c4cc(F)ccc34)ccc2F)c2ccccc21
InChIInChI=1S/C24H17F2N3O3/c1-24(32)17-4-2-3-5-20(17)29(23(24)31)21-11-13(6-9-18(21)26)10-19-15-8-7-14(25)12-16(15)22(30)28-27-19/h2-9,11-12,32H,10H2,1H3,(H,28,30)
InChIKeyQVKUGEXQMYVPQL-UHFFFAOYSA-N
XLogP3.68
TPSA86.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.41
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-4-[[4-fluoro-3-(3-hydroxy-3-methyl-2-oxoindol-1-yl)phenyl]methyl]-2H-phthalazin-1-one?
The IUPAC name of 7-fluoro-4-[[4-fluoro-3-(3-hydroxy-3-methyl-2-oxoindol-1-yl)phenyl]methyl]-2H-phthalazin-1-one (CID 166492246) is 7-fluoro-4-[[4-fluoro-3-(3-hydroxy-3-methyl-2-oxoindol-1-yl)phenyl]methyl]-2H-phthalazin-1-one.
What is the SMILES notation for 7-fluoro-4-[[4-fluoro-3-(3-hydroxy-3-methyl-2-oxoindol-1-yl)phenyl]methyl]-2H-phthalazin-1-one?
The canonical SMILES for 7-fluoro-4-[[4-fluoro-3-(3-hydroxy-3-methyl-2-oxoindol-1-yl)phenyl]methyl]-2H-phthalazin-1-one is CC1(O)C(=O)N(c2cc(Cc3n[nH]c(=O)c4cc(F)ccc34)ccc2F)c2ccccc21.
What is the InChIKey of 7-fluoro-4-[[4-fluoro-3-(3-hydroxy-3-methyl-2-oxoindol-1-yl)phenyl]methyl]-2H-phthalazin-1-one?
The InChIKey is QVKUGEXQMYVPQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17F2N3O3/c1-24(32)17-4-2-3-5-20(17)29(23(24)31)21-11-13(6-9-18(21)26)10-19-15-8-7-14(25)12-16(15)22(30)28-27-19/h2-9,11-12,32H,10H2,1H3,(H,28,30).
What are the key properties of 7-fluoro-4-[[4-fluoro-3-(3-hydroxy-3-methyl-2-oxoindol-1-yl)phenyl]methyl]-2H-phthalazin-1-one?
7-fluoro-4-[[4-fluoro-3-(3-hydroxy-3-methyl-2-oxoindol-1-yl)phenyl]methyl]-2H-phthalazin-1-one has a molecular weight of 433.41 g/mol, XLogP of 3.68, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-4-[[4-fluoro-3-(3-hydroxy-3-methyl-2-oxoindol-1-yl)phenyl]methyl]-2H-phthalazin-1-one is sourced from PubChem (CID 166492246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).