8-(4-hydroxyphenyl)-2-(2-quinolin-2-ylethyl)phthalazin-1-one

C25H19N3O2 — CID 71558447

IUPAC8-(4-hydroxyphenyl)-2-(2-quinolin-2-ylethyl)phthalazin-1-one
SMILESO=c1c2c(-c3ccc(O)cc3)cccc2cnn1CCc1ccc2ccccc2n1
InChIInChI=1S/C25H19N3O2/c29-21-12-9-17(10-13-21)22-6-3-5-19-16-26-28(25(30)24(19)22)15-14-20-11-8-18-4-1-2-7-23(18)27-20/h1-13,16,29H,14-15H2
InChIKeyNHVDGQWAVIRLAB-UHFFFAOYSA-N
MW393.45 g/mol
LogP4.56
Rot. Bonds4

About 8-(4-hydroxyphenyl)-2-(2-quinolin-2-ylethyl)phthalazin-1-one

8-(4-hydroxyphenyl)-2-(2-quinolin-2-ylethyl)phthalazin-1-one (PubChem CID 71558447) has the molecular formula C25H19N3O2 and a molecular weight of 393.45 g/mol. Its IUPAC name is 8-(4-hydroxyphenyl)-2-(2-quinolin-2-ylethyl)phthalazin-1-one.

Molecular Properties

Compound Name8-(4-hydroxyphenyl)-2-(2-quinolin-2-ylethyl)phthalazin-1-one
PubChem CID71558447
Molecular FormulaC25H19N3O2
Molecular Weight393.45 g/mol
Exact Mass393.15
IUPAC Name8-(4-hydroxyphenyl)-2-(2-quinolin-2-ylethyl)phthalazin-1-one
SMILESO=c1c2c(-c3ccc(O)cc3)cccc2cnn1CCc1ccc2ccccc2n1
InChIInChI=1S/C25H19N3O2/c29-21-12-9-17(10-13-21)22-6-3-5-19-16-26-28(25(30)24(19)22)15-14-20-11-8-18-4-1-2-7-23(18)27-20/h1-13,16,29H,14-15H2
InChIKeyNHVDGQWAVIRLAB-UHFFFAOYSA-N
XLogP4.56
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.45
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-hydroxy-N-[(E)-quinolin-4-ylmethylideneamino]benzamide
CID 6891142
2-hydroxy-N'-[(E)-quinolin-8-ylmethylidene]benzohydrazide
CID 9653239
N'-(2,4-dihydroxybenzylidene)-2-ethyl-4-quinolinecarbohydrazide
CID 135457689
N'-[(1E)-(4-hydroxyphenyl)methylene]-2-phenylquinoline-4-carbohydrazide
CID 135501377
N-[(E)-(3-hydroxyphenyl)methylideneamino]-2-phenylquinoline-4-carboxamide
CID 6882669
4-(1-adamantyl)-N-[(E)-(3-hydroxyphenyl)methyleneamino]quinoline-2-carboxamide
CID 16727761
[4-(2-Hydroxyphenyl)piperazin-1-yl]-(6-methyl-2-phenylquinolin-4-yl)methanone
CID 24687428
N'-(4-hydroxybenzylidene)-2,8-dimethyl-3-quinolinecarbohydrazide
CID 135401476
N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]-2-pyridin-3-ylquinoline-4-carboxamide
CID 135521469
[4-(4-Hydroxyphenyl)piperazin-1-yl]-[2-(4-methylphenyl)quinolin-4-yl]methanone
CID 2349590
4-[(4-Hydroxyphenyl)methylidene]-1,2,3,4-tetrahydroacridine-9-carboxylic acid
CID 135510248
2-Ethyl-N'-[(E)-(4-hydroxyphenyl)methylidene]quinoline-4-carbohydrazide
CID 135580184

Frequently Asked Questions

What is the IUPAC name of 8-(4-hydroxyphenyl)-2-(2-quinolin-2-ylethyl)phthalazin-1-one?
The IUPAC name of 8-(4-hydroxyphenyl)-2-(2-quinolin-2-ylethyl)phthalazin-1-one (CID 71558447) is 8-(4-hydroxyphenyl)-2-(2-quinolin-2-ylethyl)phthalazin-1-one.
What is the SMILES notation for 8-(4-hydroxyphenyl)-2-(2-quinolin-2-ylethyl)phthalazin-1-one?
The canonical SMILES for 8-(4-hydroxyphenyl)-2-(2-quinolin-2-ylethyl)phthalazin-1-one is O=c1c2c(-c3ccc(O)cc3)cccc2cnn1CCc1ccc2ccccc2n1.
What is the InChIKey of 8-(4-hydroxyphenyl)-2-(2-quinolin-2-ylethyl)phthalazin-1-one?
The InChIKey is NHVDGQWAVIRLAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19N3O2/c29-21-12-9-17(10-13-21)22-6-3-5-19-16-26-28(25(30)24(19)22)15-14-20-11-8-18-4-1-2-7-23(18)27-20/h1-13,16,29H,14-15H2.
What are the key properties of 8-(4-hydroxyphenyl)-2-(2-quinolin-2-ylethyl)phthalazin-1-one?
8-(4-hydroxyphenyl)-2-(2-quinolin-2-ylethyl)phthalazin-1-one has a molecular weight of 393.45 g/mol, XLogP of 4.56, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-hydroxyphenyl)-2-(2-quinolin-2-ylethyl)phthalazin-1-one is sourced from PubChem (CID 71558447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).