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

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

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Related Compounds

4-[[3-(3-amino-3-methyl-2-oxoindol-1-yl)-4-fluorophenyl]methyl]-7-fluoro-2H-phthalazin-1-one
CID 163274545
7-fluoro-4-[[5-(6-fluoro-3-hydroxy-3-methyl-2-oxoindol-1-yl)-3-pyridinyl]methyl]-2H-phthalazin-1-one
CID 166492283
4-[[2-(3-hydroxy-3-methyl-2-oxoindol-1-yl)-4-pyridinyl]methyl]-2H-phthalazin-1-one
CID 166492273
4-[[5-[(3S)-3-hydroxy-3-methyl-2-oxoindol-1-yl]-3-pyridinyl]methyl]-2H-phthalazin-1-one;methanesulfonic acid
CID 174241335
benzenesulfonic acid;4-[[5-[(3R)-3-hydroxy-3-methyl-2-oxoindol-1-yl]-3-pyridinyl]methyl]-2H-phthalazin-1-one
CID 174241336
3-[2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]phenyl]-1-(2-hydroxyethyl)-5-methylimidazolidine-2,4-dione
CID 59822522
7-fluoro-4-[[4-fluoro-3-(4-hydroxy-1-pyrimidin-2-yl-1,4-azaphosphinan-4-ium-4-yl)phenyl]methyl]-2H-phthalazin-1-one
CID 90314853
1-[5-[(6-fluorophthalazin-1-yl)methyl]-3-pyridinyl]-3-hydroxy-3-methylindol-2-one
CID 175833686
4-[(3-ethyl-4-fluorophenyl)methyl]-2H-phthalazin-1-one
CID 148786436
4-[(3-acetyl-4-fluorophenyl)methyl]-2H-phthalazin-1-one
CID 70255127
4-[[4-fluoro-3-(4-hydroxy-4-methylpiperidine-1-carbonyl)phenyl]methyl]-2H-phthalazin-1-one;2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]benzoic acid
CID 161356670
7-fluoro-4-[[4-fluoro-3-[3-[(propan-2-ylamino)methyl]azetidine-1-carbonyl]phenyl]methyl]-2H-phthalazin-1-one;hydrochloride
CID 142736924

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).