4-[(4-hydroxyanilino)methyl]-2H-phthalazin-1-one

C15H13N3O2 — CID 1482943

IUPAC4-[(4-hydroxyanilino)methyl]-2H-phthalazin-1-one
SMILESO=c1[nH]nc(CNc2ccc(O)cc2)c2ccccc12
InChIInChI=1S/C15H13N3O2/c19-11-7-5-10(6-8-11)16-9-14-12-3-1-2-4-13(12)15(20)18-17-14/h1-8,16,19H,9H2,(H,18,20)
InChIKeyPYSXKNVRFQXTOT-UHFFFAOYSA-N
MW267.29 g/mol
LogP2.24
Rot. Bonds3

About 4-[(4-hydroxyanilino)methyl]-2H-phthalazin-1-one

4-[(4-hydroxyanilino)methyl]-2H-phthalazin-1-one (PubChem CID 1482943) has the molecular formula C15H13N3O2 and a molecular weight of 267.29 g/mol. Its IUPAC name is 4-[(4-hydroxyanilino)methyl]-2H-phthalazin-1-one.

Molecular Properties

Compound Name4-[(4-hydroxyanilino)methyl]-2H-phthalazin-1-one
PubChem CID1482943
Molecular FormulaC15H13N3O2
Molecular Weight267.29 g/mol
Exact Mass267.10
IUPAC Name4-[(4-hydroxyanilino)methyl]-2H-phthalazin-1-one
SMILESO=c1[nH]nc(CNc2ccc(O)cc2)c2ccccc12
InChIInChI=1S/C15H13N3O2/c19-11-7-5-10(6-8-11)16-9-14-12-3-1-2-4-13(12)15(20)18-17-14/h1-8,16,19H,9H2,(H,18,20)
InChIKeyPYSXKNVRFQXTOT-UHFFFAOYSA-N
XLogP2.24
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 52.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

N-(4-methoxyphenyl)-2-(3-methyl-4-oxo-3,4-dihydrophthalazin-1-yl)acetamide
CID 758936
Acyl Hydrazone, 10
CID 11404599
4-[(4-methoxyanilino)methyl]-1(2H)-phthalazinone
CID 1482305
4-[[3,4-difluoro-5-[4-(4-hydroxyphenyl)piperazine-1-carbonyl]phenyl]methyl]-2H-phthalazin-1-one
CID 145954997
N-(4-{[2-(3-hydroxybenzylidene)hydrazino]carbonyl}phenyl)cyclohexanecarboxamide
CID 6875721
4-{[4-(trifluoromethoxy)anilino]methyl}-1(2H)-phthalazinone
CID 1485947
N-butyl-3-(4-methoxyphenyl)-4-oxo-3,4-dihydrophthalazine-1-carboxamide
CID 4053667
N-[2-(cyclohexen-1-yl)ethyl]-3-(4-methoxyphenyl)-4-oxophthalazine-1-carboxamide
CID 4252973
N-butan-2-yl-3-(4-methoxyphenyl)-4-oxophthalazine-1-carboxamide
CID 5130603
N-[3-[N-[(4-hydroxybenzoyl)amino]-C-methylcarbonimidoyl]phenyl]-2-methylbenzamide
CID 25237420
N-{4-[(1E)-1-{2-[(4-hydroxyphenyl)carbonyl]hydrazinylidene}ethyl]phenyl}-2-phenylacetamide
CID 25237598
4-(diethylamino)-N-[(E)-1-(4-hydroxyphenyl)ethylideneamino]benzamide
CID 135521630

Frequently Asked Questions

What is the IUPAC name of 4-[(4-hydroxyanilino)methyl]-2H-phthalazin-1-one?
The IUPAC name of 4-[(4-hydroxyanilino)methyl]-2H-phthalazin-1-one (CID 1482943) is 4-[(4-hydroxyanilino)methyl]-2H-phthalazin-1-one.
What is the SMILES notation for 4-[(4-hydroxyanilino)methyl]-2H-phthalazin-1-one?
The canonical SMILES for 4-[(4-hydroxyanilino)methyl]-2H-phthalazin-1-one is O=c1[nH]nc(CNc2ccc(O)cc2)c2ccccc12.
What is the InChIKey of 4-[(4-hydroxyanilino)methyl]-2H-phthalazin-1-one?
The InChIKey is PYSXKNVRFQXTOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O2/c19-11-7-5-10(6-8-11)16-9-14-12-3-1-2-4-13(12)15(20)18-17-14/h1-8,16,19H,9H2,(H,18,20).
What are the key properties of 4-[(4-hydroxyanilino)methyl]-2H-phthalazin-1-one?
4-[(4-hydroxyanilino)methyl]-2H-phthalazin-1-one has a molecular weight of 267.29 g/mol, XLogP of 2.24, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-hydroxyanilino)methyl]-2H-phthalazin-1-one is sourced from PubChem (CID 1482943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).