N-(4-methoxyphenyl)-4-phenylphthalazin-1-amine

C21H17N3O — CID 2869439

IUPACN-(4-methoxyphenyl)-4-phenylphthalazin-1-amine
SMILESCOc1ccc(Nc2nnc(-c3ccccc3)c3ccccc23)cc1
InChIInChI=1S/C21H17N3O/c1-25-17-13-11-16(12-14-17)22-21-19-10-6-5-9-18(19)20(23-24-21)15-7-3-2-4-8-15/h2-14H,1H3,(H,22,24)
InChIKeyZEXOYEKJRIIUNG-UHFFFAOYSA-N
MW327.39 g/mol
LogP5.05
Rot. Bonds4

About N-(4-methoxyphenyl)-4-phenylphthalazin-1-amine

N-(4-methoxyphenyl)-4-phenylphthalazin-1-amine (PubChem CID 2869439) has the molecular formula C21H17N3O and a molecular weight of 327.39 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-4-phenylphthalazin-1-amine.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-4-phenylphthalazin-1-amine
PubChem CID2869439
Molecular FormulaC21H17N3O
Molecular Weight327.39 g/mol
Exact Mass327.14
IUPAC NameN-(4-methoxyphenyl)-4-phenylphthalazin-1-amine
SMILESCOc1ccc(Nc2nnc(-c3ccccc3)c3ccccc23)cc1
InChIInChI=1S/C21H17N3O/c1-25-17-13-11-16(12-14-17)22-21-19-10-6-5-9-18(19)20(23-24-21)15-7-3-2-4-8-15/h2-14H,1H3,(H,22,24)
InChIKeyZEXOYEKJRIIUNG-UHFFFAOYSA-N
XLogP5.05
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.39
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-4-phenylphthalazin-1-amine?
The IUPAC name of N-(4-methoxyphenyl)-4-phenylphthalazin-1-amine (CID 2869439) is N-(4-methoxyphenyl)-4-phenylphthalazin-1-amine.
What is the SMILES notation for N-(4-methoxyphenyl)-4-phenylphthalazin-1-amine?
The canonical SMILES for N-(4-methoxyphenyl)-4-phenylphthalazin-1-amine is COc1ccc(Nc2nnc(-c3ccccc3)c3ccccc23)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-4-phenylphthalazin-1-amine?
The InChIKey is ZEXOYEKJRIIUNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O/c1-25-17-13-11-16(12-14-17)22-21-19-10-6-5-9-18(19)20(23-24-21)15-7-3-2-4-8-15/h2-14H,1H3,(H,22,24).
What are the key properties of N-(4-methoxyphenyl)-4-phenylphthalazin-1-amine?
N-(4-methoxyphenyl)-4-phenylphthalazin-1-amine has a molecular weight of 327.39 g/mol, XLogP of 5.05, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-4-phenylphthalazin-1-amine is sourced from PubChem (CID 2869439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).