4-[4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-2-fluorophenyl]-2H-phthalazin-1-one

C24H18FN3O2 — CID 90299299

IUPAC4-[4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-2-fluorophenyl]-2H-phthalazin-1-one
SMILESO=C(Cc1ccc(-c2n[nH]c(=O)c3ccccc23)c(F)c1)N1CCc2ccccc21
InChIInChI=1S/C24H18FN3O2/c25-20-13-15(14-22(29)28-12-11-16-5-1-4-8-21(16)28)9-10-19(20)23-17-6-2-3-7-18(17)24(30)27-26-23/h1-10,13H,11-12,14H2,(H,27,30)
InChIKeyMXPZOPZFLFKBMT-UHFFFAOYSA-N
MW399.43 g/mol
LogP3.86
Rot. Bonds3

About 4-[4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-2-fluorophenyl]-2H-phthalazin-1-one

4-[4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-2-fluorophenyl]-2H-phthalazin-1-one (PubChem CID 90299299) has the molecular formula C24H18FN3O2 and a molecular weight of 399.43 g/mol. Its IUPAC name is 4-[4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-2-fluorophenyl]-2H-phthalazin-1-one.

Molecular Properties

Compound Name4-[4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-2-fluorophenyl]-2H-phthalazin-1-one
PubChem CID90299299
Molecular FormulaC24H18FN3O2
Molecular Weight399.43 g/mol
Exact Mass399.14
IUPAC Name4-[4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-2-fluorophenyl]-2H-phthalazin-1-one
SMILESO=C(Cc1ccc(-c2n[nH]c(=O)c3ccccc23)c(F)c1)N1CCc2ccccc21
InChIInChI=1S/C24H18FN3O2/c25-20-13-15(14-22(29)28-12-11-16-5-1-4-8-21(16)28)9-10-19(20)23-17-6-2-3-7-18(17)24(30)27-26-23/h1-10,13H,11-12,14H2,(H,27,30)
InChIKeyMXPZOPZFLFKBMT-UHFFFAOYSA-N
XLogP3.86
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.43
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-[4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-2-fluorophenyl]-2H-phthalazin-1-one with MolForge

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Related Compounds

1-(2-Fluoro-5-((4-oxo-3,4-dihydrophthalazin-1-yl)methyl)phenyl)pyrrolidine-2,5-dione
CID 11725479
4-({3-[(4-Phenylpiperazin-1-yl)carbonyl]phenyl}methyl)-1,2-dihydrophthalazin-1-one
CID 25133279
4-({4-Fluoro-3-[(4-phenylpiperazin-1-yl)carbonyl]phenyl}methyl)-1,2-dihydrophthalazin-1-one
CID 25133280
2-[4-[2,3-difluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]benzoyl]piperazin-1-yl]benzonitrile
CID 145955534
4-[[3,4-difluoro-5-[4-(4-fluorophenyl)piperazine-1-carbonyl]phenyl]methyl]-2H-phthalazin-1-one
CID 145955549
4-[[3,4-difluoro-5-[4-(4-methylphenyl)piperazine-1-carbonyl]phenyl]methyl]-2H-phthalazin-1-one
CID 145960349
4-[[3,4-difluoro-5-(4-phenylpiperazine-1-carbonyl)phenyl]methyl]-2H-phthalazin-1-one
CID 145962718
4-[[3,4-difluoro-5-[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl]phenyl]methyl]-2H-phthalazin-1-one
CID 145972651
N-(2,4-dimethylphenyl)-4-(3-methyl-4-oxophthalazin-1-yl)benzamide
CID 1292350
N-(4-fluorophenyl)-4-(3-methyl-4-oxophthalazin-1-yl)benzamide
CID 1999173
N-[4-(diethylcarbamoyl)phenyl]-4-(3-methyl-4-oxophthalazin-1-yl)benzamide
CID 2000148
N-methyl-4-(3-methyl-4-oxo-3,4-dihydrophthalazin-1-yl)-N-phenylbenzamide
CID 2035723

Frequently Asked Questions

What is the IUPAC name of 4-[4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-2-fluorophenyl]-2H-phthalazin-1-one?
The IUPAC name of 4-[4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-2-fluorophenyl]-2H-phthalazin-1-one (CID 90299299) is 4-[4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-2-fluorophenyl]-2H-phthalazin-1-one.
What is the SMILES notation for 4-[4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-2-fluorophenyl]-2H-phthalazin-1-one?
The canonical SMILES for 4-[4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-2-fluorophenyl]-2H-phthalazin-1-one is O=C(Cc1ccc(-c2n[nH]c(=O)c3ccccc23)c(F)c1)N1CCc2ccccc21.
What is the InChIKey of 4-[4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-2-fluorophenyl]-2H-phthalazin-1-one?
The InChIKey is MXPZOPZFLFKBMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18FN3O2/c25-20-13-15(14-22(29)28-12-11-16-5-1-4-8-21(16)28)9-10-19(20)23-17-6-2-3-7-18(17)24(30)27-26-23/h1-10,13H,11-12,14H2,(H,27,30).
What are the key properties of 4-[4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-2-fluorophenyl]-2H-phthalazin-1-one?
4-[4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-2-fluorophenyl]-2H-phthalazin-1-one has a molecular weight of 399.43 g/mol, XLogP of 3.86, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-2-fluorophenyl]-2H-phthalazin-1-one is sourced from PubChem (CID 90299299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).