4-(3-aminophenyl)-2H-phthalazin-1-one;hydrochloride

C14H12ClN3O — CID 157040138

IUPAC4-(3-aminophenyl)-2H-phthalazin-1-one;hydrochloride
SMILESCl.Nc1cccc(-c2n[nH]c(=O)c3ccccc23)c1
InChIInChI=1S/C14H11N3O.ClH/c15-10-5-3-4-9(8-10)13-11-6-1-2-7-12(11)14(18)17-16-13;/h1-8H,15H2,(H,17,18);1H
InChIKeyUQNFFHZZSGJONO-UHFFFAOYSA-N
MW273.72 g/mol
LogP2.59
Rot. Bonds1

About 4-(3-aminophenyl)-2H-phthalazin-1-one;hydrochloride

4-(3-aminophenyl)-2H-phthalazin-1-one;hydrochloride (PubChem CID 157040138) has the molecular formula C14H12ClN3O and a molecular weight of 273.72 g/mol. Its IUPAC name is 4-(3-aminophenyl)-2H-phthalazin-1-one;hydrochloride.

Molecular Properties

Compound Name4-(3-aminophenyl)-2H-phthalazin-1-one;hydrochloride
PubChem CID157040138
Molecular FormulaC14H12ClN3O
Molecular Weight273.72 g/mol
Exact Mass273.07
IUPAC Name4-(3-aminophenyl)-2H-phthalazin-1-one;hydrochloride
SMILESCl.Nc1cccc(-c2n[nH]c(=O)c3ccccc23)c1
InChIInChI=1S/C14H11N3O.ClH/c15-10-5-3-4-9(8-10)13-11-6-1-2-7-12(11)14(18)17-16-13;/h1-8H,15H2,(H,17,18);1H
InChIKeyUQNFFHZZSGJONO-UHFFFAOYSA-N
XLogP2.59
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.72
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-phenyl-2H-phthalazin-1-one;hydrate
CID 51057017
1-oxo-4-[3-(sulfamoylamino)phenyl]-2H-phthalazine;hydrochloride
CID 157040157
4-(3,4-difluorophenyl)-2H-phthalazin-1-one
CID 28805276
4-(3,5-dichlorophenyl)-2H-phthalazin-1-one
CID 2824608
4-(3-aminophenyl)-1H-benzo[h]quinazolin-2-one;hydrochloride
CID 56651010
4-(3-chloro-4-methylphenyl)-2H-phthalazin-1-one
CID 106520396
4-(4-pyridin-4-ylphenyl)-2H-phthalazin-1-one
CID 110187221
2-amino-N-[[3-(4-oxo-3H-phthalazin-1-yl)phenyl]methyl]propanamide
CID 23449563
4-quinolin-7-yl-2H-phthalazin-1-one
CID 106519755
4-(4-methoxy-3,5-dimethylphenyl)-2H-phthalazin-1-one
CID 83046007
4-(3-amino-4-thiomorpholin-4-ylphenyl)-2H-phthalazin-1-one
CID 50942833
7-amino-N-[3-(4-oxo-3H-phthalazin-1-yl)phenyl]heptanamide
CID 23449614

Frequently Asked Questions

What is the IUPAC name of 4-(3-aminophenyl)-2H-phthalazin-1-one;hydrochloride?
The IUPAC name of 4-(3-aminophenyl)-2H-phthalazin-1-one;hydrochloride (CID 157040138) is 4-(3-aminophenyl)-2H-phthalazin-1-one;hydrochloride.
What is the SMILES notation for 4-(3-aminophenyl)-2H-phthalazin-1-one;hydrochloride?
The canonical SMILES for 4-(3-aminophenyl)-2H-phthalazin-1-one;hydrochloride is Cl.Nc1cccc(-c2n[nH]c(=O)c3ccccc23)c1.
What is the InChIKey of 4-(3-aminophenyl)-2H-phthalazin-1-one;hydrochloride?
The InChIKey is UQNFFHZZSGJONO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O.ClH/c15-10-5-3-4-9(8-10)13-11-6-1-2-7-12(11)14(18)17-16-13;/h1-8H,15H2,(H,17,18);1H.
What are the key properties of 4-(3-aminophenyl)-2H-phthalazin-1-one;hydrochloride?
4-(3-aminophenyl)-2H-phthalazin-1-one;hydrochloride has a molecular weight of 273.72 g/mol, XLogP of 2.59, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-aminophenyl)-2H-phthalazin-1-one;hydrochloride is sourced from PubChem (CID 157040138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).