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

C24H19N3O2 — CID 118556629

IUPAC4-[4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]phenyl]-2H-phthalazin-1-one
SMILESO=C(Cc1ccc(-c2n[nH]c(=O)c3ccccc23)cc1)N1CCc2ccccc21
InChIInChI=1S/C24H19N3O2/c28-22(27-14-13-17-5-1-4-8-21(17)27)15-16-9-11-18(12-10-16)23-19-6-2-3-7-20(19)24(29)26-25-23/h1-12H,13-15H2,(H,26,29)
InChIKeyCOYVFENBIAJDFY-UHFFFAOYSA-N
MW381.44 g/mol
LogP3.72
Rot. Bonds3

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

4-[4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]phenyl]-2H-phthalazin-1-one (PubChem CID 118556629) has the molecular formula C24H19N3O2 and a molecular weight of 381.44 g/mol. Its IUPAC name is 4-[4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]phenyl]-2H-phthalazin-1-one.

Molecular Properties

Compound Name4-[4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]phenyl]-2H-phthalazin-1-one
PubChem CID118556629
Molecular FormulaC24H19N3O2
Molecular Weight381.44 g/mol
Exact Mass381.15
IUPAC Name4-[4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]phenyl]-2H-phthalazin-1-one
SMILESO=C(Cc1ccc(-c2n[nH]c(=O)c3ccccc23)cc1)N1CCc2ccccc21
InChIInChI=1S/C24H19N3O2/c28-22(27-14-13-17-5-1-4-8-21(17)27)15-16-9-11-18(12-10-16)23-19-6-2-3-7-20(19)24(29)26-25-23/h1-12H,13-15H2,(H,26,29)
InChIKeyCOYVFENBIAJDFY-UHFFFAOYSA-N
XLogP3.72
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.44
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]phenyl]-2H-phthalazin-1-one?
The IUPAC name of 4-[4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]phenyl]-2H-phthalazin-1-one (CID 118556629) is 4-[4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]phenyl]-2H-phthalazin-1-one.
What is the SMILES notation for 4-[4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]phenyl]-2H-phthalazin-1-one?
The canonical SMILES for 4-[4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]phenyl]-2H-phthalazin-1-one is O=C(Cc1ccc(-c2n[nH]c(=O)c3ccccc23)cc1)N1CCc2ccccc21.
What is the InChIKey of 4-[4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]phenyl]-2H-phthalazin-1-one?
The InChIKey is COYVFENBIAJDFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N3O2/c28-22(27-14-13-17-5-1-4-8-21(17)27)15-16-9-11-18(12-10-16)23-19-6-2-3-7-20(19)24(29)26-25-23/h1-12H,13-15H2,(H,26,29).
What are the key properties of 4-[4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]phenyl]-2H-phthalazin-1-one?
4-[4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]phenyl]-2H-phthalazin-1-one has a molecular weight of 381.44 g/mol, XLogP of 3.72, 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]phenyl]-2H-phthalazin-1-one is sourced from PubChem (CID 118556629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).