4-[(4-hydroxyphenyl)methyl]-2-[[(2R)-1-methylpyrrolidin-2-yl]methyl]phthalazin-1-one

C21H23N3O2 — CID 52937527

IUPAC4-[(4-hydroxyphenyl)methyl]-2-[[(2R)-1-methylpyrrolidin-2-yl]methyl]phthalazin-1-one
SMILESCN1CCC[C@@H]1Cn1nc(Cc2ccc(O)cc2)c2ccccc2c1=O
InChIInChI=1S/C21H23N3O2/c1-23-12-4-5-16(23)14-24-21(26)19-7-3-2-6-18(19)20(22-24)13-15-8-10-17(25)11-9-15/h2-3,6-11,16,25H,4-5,12-14H2,1H3/t16-/m1/s1
InChIKeyUJMUXUJLIHKBEA-MRXNPFEDSA-N
MW349.43 g/mol
LogP2.79
Rot. Bonds4

About 4-[(4-hydroxyphenyl)methyl]-2-[[(2R)-1-methylpyrrolidin-2-yl]methyl]phthalazin-1-one

4-[(4-hydroxyphenyl)methyl]-2-[[(2R)-1-methylpyrrolidin-2-yl]methyl]phthalazin-1-one (PubChem CID 52937527) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is 4-[(4-hydroxyphenyl)methyl]-2-[[(2R)-1-methylpyrrolidin-2-yl]methyl]phthalazin-1-one.

Molecular Properties

Compound Name4-[(4-hydroxyphenyl)methyl]-2-[[(2R)-1-methylpyrrolidin-2-yl]methyl]phthalazin-1-one
PubChem CID52937527
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC Name4-[(4-hydroxyphenyl)methyl]-2-[[(2R)-1-methylpyrrolidin-2-yl]methyl]phthalazin-1-one
SMILESCN1CCC[C@@H]1Cn1nc(Cc2ccc(O)cc2)c2ccccc2c1=O
InChIInChI=1S/C21H23N3O2/c1-23-12-4-5-16(23)14-24-21(26)19-7-3-2-6-18(19)20(22-24)13-15-8-10-17(25)11-9-15/h2-3,6-11,16,25H,4-5,12-14H2,1H3/t16-/m1/s1
InChIKeyUJMUXUJLIHKBEA-MRXNPFEDSA-N
XLogP2.79
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[(4-hydroxyphenyl)methyl]-2-[[(2R)-1-methylpyrrolidin-2-yl]methyl]phthalazin-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(4-hydroxy-3,5-dimethylphenyl)-2-methylphthalazin-1(2H)-one
CID 624420
2-({(2R)-1-[4-(4-{[3-(Hexahydro-1H-azepin-1-yl)propyl]oxy}phenyl)butyl]-2-pyrrolidinyl}methyl)-4-[(4-hydroxyphenyl)methyl]-1(2H)-phthalazinone
CID 24803639
2-methyl-4-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]phthalazin-1-one
CID 56668789
4-[(4-methoxyphenyl)methyl]-2-[[(2R)-1-methylpyrrolidin-2-yl]methyl]phthalazin-1-one
CID 52937526
2-Methyl-4-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]phthalazin-1-one
CID 56668790
(3-(2-hydroxyphenyl)-5-phenyl-4,5-dihydro-1H-pyrazol-1-yl)(phenyl)methanone
CID 2954637
[3-(2-Hydroxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-phenylmethanone
CID 2972359
4-[(4-ethoxyphenyl)methyl]-2-[[(2R)-1-methylpyrrolidin-2-yl]methyl]phthalazin-1-one
CID 52937629
4-[(3-methoxyphenyl)methyl]-2-[[(2R)-1-methylpyrrolidin-2-yl]methyl]phthalazin-1-one
CID 52937730
4-[(3,4-dimethoxyphenyl)methyl]-2-[[(2R)-1-methylpyrrolidin-2-yl]methyl]phthalazin-1-one
CID 52937733
3,5-bis-(2-hydroxyphenyl)-1N-benzoyl-4, 5-dihydro-1H-pyrazole
CID 135971398
[5-(2-hydroxyphenyl)-3-(4-methylphenyl)-4,5-dihydro-1H-pyrazol-1-yl](phenyl)methanone
CID 16331309

Frequently Asked Questions

What is the IUPAC name of 4-[(4-hydroxyphenyl)methyl]-2-[[(2R)-1-methylpyrrolidin-2-yl]methyl]phthalazin-1-one?
The IUPAC name of 4-[(4-hydroxyphenyl)methyl]-2-[[(2R)-1-methylpyrrolidin-2-yl]methyl]phthalazin-1-one (CID 52937527) is 4-[(4-hydroxyphenyl)methyl]-2-[[(2R)-1-methylpyrrolidin-2-yl]methyl]phthalazin-1-one.
What is the SMILES notation for 4-[(4-hydroxyphenyl)methyl]-2-[[(2R)-1-methylpyrrolidin-2-yl]methyl]phthalazin-1-one?
The canonical SMILES for 4-[(4-hydroxyphenyl)methyl]-2-[[(2R)-1-methylpyrrolidin-2-yl]methyl]phthalazin-1-one is CN1CCC[C@@H]1Cn1nc(Cc2ccc(O)cc2)c2ccccc2c1=O.
What is the InChIKey of 4-[(4-hydroxyphenyl)methyl]-2-[[(2R)-1-methylpyrrolidin-2-yl]methyl]phthalazin-1-one?
The InChIKey is UJMUXUJLIHKBEA-MRXNPFEDSA-N. The full InChI is InChI=1S/C21H23N3O2/c1-23-12-4-5-16(23)14-24-21(26)19-7-3-2-6-18(19)20(22-24)13-15-8-10-17(25)11-9-15/h2-3,6-11,16,25H,4-5,12-14H2,1H3/t16-/m1/s1.
What are the key properties of 4-[(4-hydroxyphenyl)methyl]-2-[[(2R)-1-methylpyrrolidin-2-yl]methyl]phthalazin-1-one?
4-[(4-hydroxyphenyl)methyl]-2-[[(2R)-1-methylpyrrolidin-2-yl]methyl]phthalazin-1-one has a molecular weight of 349.43 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-hydroxyphenyl)methyl]-2-[[(2R)-1-methylpyrrolidin-2-yl]methyl]phthalazin-1-one is sourced from PubChem (CID 52937527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).