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

C24H18F2N4O2 — CID 163274545

IUPAC4-[[3-(3-amino-3-methyl-2-oxoindol-1-yl)-4-fluorophenyl]methyl]-7-fluoro-2H-phthalazin-1-one
SMILESCC1(N)C(=O)N(c2cc(Cc3n[nH]c(=O)c4cc(F)ccc34)ccc2F)c2ccccc21
InChIInChI=1S/C24H18F2N4O2/c1-24(27)17-4-2-3-5-20(17)30(23(24)32)21-11-13(6-9-18(21)26)10-19-15-8-7-14(25)12-16(15)22(31)29-28-19/h2-9,11-12H,10,27H2,1H3,(H,29,31)
InChIKeyDYUBZRXCUISDKE-UHFFFAOYSA-N
MW432.43 g/mol
LogP3.64
Rot. Bonds3

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

4-[[3-(3-amino-3-methyl-2-oxoindol-1-yl)-4-fluorophenyl]methyl]-7-fluoro-2H-phthalazin-1-one (PubChem CID 163274545) has the molecular formula C24H18F2N4O2 and a molecular weight of 432.43 g/mol. Its IUPAC name is 4-[[3-(3-amino-3-methyl-2-oxoindol-1-yl)-4-fluorophenyl]methyl]-7-fluoro-2H-phthalazin-1-one.

Molecular Properties

Compound Name4-[[3-(3-amino-3-methyl-2-oxoindol-1-yl)-4-fluorophenyl]methyl]-7-fluoro-2H-phthalazin-1-one
PubChem CID163274545
Molecular FormulaC24H18F2N4O2
Molecular Weight432.43 g/mol
Exact Mass432.14
IUPAC Name4-[[3-(3-amino-3-methyl-2-oxoindol-1-yl)-4-fluorophenyl]methyl]-7-fluoro-2H-phthalazin-1-one
SMILESCC1(N)C(=O)N(c2cc(Cc3n[nH]c(=O)c4cc(F)ccc34)ccc2F)c2ccccc21
InChIInChI=1S/C24H18F2N4O2/c1-24(27)17-4-2-3-5-20(17)30(23(24)32)21-11-13(6-9-18(21)26)10-19-15-8-7-14(25)12-16(15)22(31)29-28-19/h2-9,11-12H,10,27H2,1H3,(H,29,31)
InChIKeyDYUBZRXCUISDKE-UHFFFAOYSA-N
XLogP3.64
TPSA92.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.43
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[3-(3-amino-3-methyl-2-oxoindol-1-yl)-4-fluorophenyl]methyl]-7-fluoro-2H-phthalazin-1-one?
The IUPAC name of 4-[[3-(3-amino-3-methyl-2-oxoindol-1-yl)-4-fluorophenyl]methyl]-7-fluoro-2H-phthalazin-1-one (CID 163274545) is 4-[[3-(3-amino-3-methyl-2-oxoindol-1-yl)-4-fluorophenyl]methyl]-7-fluoro-2H-phthalazin-1-one.
What is the SMILES notation for 4-[[3-(3-amino-3-methyl-2-oxoindol-1-yl)-4-fluorophenyl]methyl]-7-fluoro-2H-phthalazin-1-one?
The canonical SMILES for 4-[[3-(3-amino-3-methyl-2-oxoindol-1-yl)-4-fluorophenyl]methyl]-7-fluoro-2H-phthalazin-1-one is CC1(N)C(=O)N(c2cc(Cc3n[nH]c(=O)c4cc(F)ccc34)ccc2F)c2ccccc21.
What is the InChIKey of 4-[[3-(3-amino-3-methyl-2-oxoindol-1-yl)-4-fluorophenyl]methyl]-7-fluoro-2H-phthalazin-1-one?
The InChIKey is DYUBZRXCUISDKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18F2N4O2/c1-24(27)17-4-2-3-5-20(17)30(23(24)32)21-11-13(6-9-18(21)26)10-19-15-8-7-14(25)12-16(15)22(31)29-28-19/h2-9,11-12H,10,27H2,1H3,(H,29,31).
What are the key properties of 4-[[3-(3-amino-3-methyl-2-oxoindol-1-yl)-4-fluorophenyl]methyl]-7-fluoro-2H-phthalazin-1-one?
4-[[3-(3-amino-3-methyl-2-oxoindol-1-yl)-4-fluorophenyl]methyl]-7-fluoro-2H-phthalazin-1-one has a molecular weight of 432.43 g/mol, XLogP of 3.64, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(3-amino-3-methyl-2-oxoindol-1-yl)-4-fluorophenyl]methyl]-7-fluoro-2H-phthalazin-1-one is sourced from PubChem (CID 163274545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).