4-[2-oxo-2-(2-phenylpyrrolidin-1-yl)ethyl]-2H-phthalazin-1-one

C20H19N3O2 — CID 24626134

IUPAC4-[2-oxo-2-(2-phenylpyrrolidin-1-yl)ethyl]-2H-phthalazin-1-one
SMILESO=C(Cc1n[nH]c(=O)c2ccccc12)N1CCCC1c1ccccc1
InChIInChI=1S/C20H19N3O2/c24-19(23-12-6-11-18(23)14-7-2-1-3-8-14)13-17-15-9-4-5-10-16(15)20(25)22-21-17/h1-5,7-10,18H,6,11-13H2,(H,22,25)
InChIKeyDWKSOIMPGCEOEJ-UHFFFAOYSA-N
MW333.39 g/mol
LogP2.83
Rot. Bonds3

About 4-[2-oxo-2-(2-phenylpyrrolidin-1-yl)ethyl]-2H-phthalazin-1-one

4-[2-oxo-2-(2-phenylpyrrolidin-1-yl)ethyl]-2H-phthalazin-1-one (PubChem CID 24626134) has the molecular formula C20H19N3O2 and a molecular weight of 333.39 g/mol. Its IUPAC name is 4-[2-oxo-2-(2-phenylpyrrolidin-1-yl)ethyl]-2H-phthalazin-1-one.

Molecular Properties

Compound Name4-[2-oxo-2-(2-phenylpyrrolidin-1-yl)ethyl]-2H-phthalazin-1-one
PubChem CID24626134
Molecular FormulaC20H19N3O2
Molecular Weight333.39 g/mol
Exact Mass333.15
IUPAC Name4-[2-oxo-2-(2-phenylpyrrolidin-1-yl)ethyl]-2H-phthalazin-1-one
SMILESO=C(Cc1n[nH]c(=O)c2ccccc12)N1CCCC1c1ccccc1
InChIInChI=1S/C20H19N3O2/c24-19(23-12-6-11-18(23)14-7-2-1-3-8-14)13-17-15-9-4-5-10-16(15)20(25)22-21-17/h1-5,7-10,18H,6,11-13H2,(H,22,25)
InChIKeyDWKSOIMPGCEOEJ-UHFFFAOYSA-N
XLogP2.83
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-oxo-2-(2-pyridin-3-ylpiperidin-1-yl)ethyl]-2H-phthalazin-1-one
CID 110210193
4-[2-[(2R)-2-cyclopentylpyrrolidin-1-yl]-2-oxoethyl]-2H-phthalazin-1-one
CID 94637149
4-[2-[(2S)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-2-oxoethyl]-2H-phthalazin-1-one
CID 41111587
4-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]-2H-phthalazin-1-one
CID 51473384
4-[2-oxo-2-(4-phenylpiperidin-1-yl)ethyl]-2H-phthalazin-1-one
CID 166196668
(2S,4S)-4-hydroxy-1-[2-(4-oxo-3H-phthalazin-1-yl)acetyl]pyrrolidine-2-carboxylic acid
CID 40816558
4-methyl-5-oxo-1-[2-(4-oxo-3H-phthalazin-1-yl)acetyl]piperazine-2-carboxylic acid
CID 167858901
4-[(2R)-2-pyridin-3-ylpyrrolidine-1-carbonyl]-2H-phthalazin-1-one
CID 39154920
1-cyclopentyl-3-[(4-oxo-3H-phthalazin-1-yl)methyl]urea
CID 110749123
4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-2H-phthalazin-1-one
CID 4794809
4-[2-[(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-oxoethyl]-2H-phthalazin-1-one
CID 9070423
N-[(4-oxo-3H-phthalazin-1-yl)methyl]cyclopropanecarboxamide
CID 6852112

Frequently Asked Questions

What is the IUPAC name of 4-[2-oxo-2-(2-phenylpyrrolidin-1-yl)ethyl]-2H-phthalazin-1-one?
The IUPAC name of 4-[2-oxo-2-(2-phenylpyrrolidin-1-yl)ethyl]-2H-phthalazin-1-one (CID 24626134) is 4-[2-oxo-2-(2-phenylpyrrolidin-1-yl)ethyl]-2H-phthalazin-1-one.
What is the SMILES notation for 4-[2-oxo-2-(2-phenylpyrrolidin-1-yl)ethyl]-2H-phthalazin-1-one?
The canonical SMILES for 4-[2-oxo-2-(2-phenylpyrrolidin-1-yl)ethyl]-2H-phthalazin-1-one is O=C(Cc1n[nH]c(=O)c2ccccc12)N1CCCC1c1ccccc1.
What is the InChIKey of 4-[2-oxo-2-(2-phenylpyrrolidin-1-yl)ethyl]-2H-phthalazin-1-one?
The InChIKey is DWKSOIMPGCEOEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O2/c24-19(23-12-6-11-18(23)14-7-2-1-3-8-14)13-17-15-9-4-5-10-16(15)20(25)22-21-17/h1-5,7-10,18H,6,11-13H2,(H,22,25).
What are the key properties of 4-[2-oxo-2-(2-phenylpyrrolidin-1-yl)ethyl]-2H-phthalazin-1-one?
4-[2-oxo-2-(2-phenylpyrrolidin-1-yl)ethyl]-2H-phthalazin-1-one has a molecular weight of 333.39 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-oxo-2-(2-phenylpyrrolidin-1-yl)ethyl]-2H-phthalazin-1-one is sourced from PubChem (CID 24626134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).