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

C21H17N3O — CID 5494639

IUPAC4-(4-methoxyphenyl)-N-phenylphthalazin-1-amine
SMILESCOc1ccc(-c2nnc(Nc3ccccc3)c3ccccc23)cc1
InChIInChI=1S/C21H17N3O/c1-25-17-13-11-15(12-14-17)20-18-9-5-6-10-19(18)21(24-23-20)22-16-7-3-2-4-8-16/h2-14H,1H3,(H,22,24)
InChIKeyDKVNWFVUKGPEJR-UHFFFAOYSA-N
MW327.39 g/mol
LogP5.05
Rot. Bonds4

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

4-(4-methoxyphenyl)-N-phenylphthalazin-1-amine (PubChem CID 5494639) has the molecular formula C21H17N3O and a molecular weight of 327.39 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-N-phenylphthalazin-1-amine.

Molecular Properties

Compound Name4-(4-methoxyphenyl)-N-phenylphthalazin-1-amine
PubChem CID5494639
Molecular FormulaC21H17N3O
Molecular Weight327.39 g/mol
Exact Mass327.14
IUPAC Name4-(4-methoxyphenyl)-N-phenylphthalazin-1-amine
SMILESCOc1ccc(-c2nnc(Nc3ccccc3)c3ccccc23)cc1
InChIInChI=1S/C21H17N3O/c1-25-17-13-11-15(12-14-17)20-18-9-5-6-10-19(18)21(24-23-20)22-16-7-3-2-4-8-16/h2-14H,1H3,(H,22,24)
InChIKeyDKVNWFVUKGPEJR-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 4-(4-methoxyphenyl)-N-phenylphthalazin-1-amine?
The IUPAC name of 4-(4-methoxyphenyl)-N-phenylphthalazin-1-amine (CID 5494639) is 4-(4-methoxyphenyl)-N-phenylphthalazin-1-amine.
What is the SMILES notation for 4-(4-methoxyphenyl)-N-phenylphthalazin-1-amine?
The canonical SMILES for 4-(4-methoxyphenyl)-N-phenylphthalazin-1-amine is COc1ccc(-c2nnc(Nc3ccccc3)c3ccccc23)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)-N-phenylphthalazin-1-amine?
The InChIKey is DKVNWFVUKGPEJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O/c1-25-17-13-11-15(12-14-17)20-18-9-5-6-10-19(18)21(24-23-20)22-16-7-3-2-4-8-16/h2-14H,1H3,(H,22,24).
What are the key properties of 4-(4-methoxyphenyl)-N-phenylphthalazin-1-amine?
4-(4-methoxyphenyl)-N-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 4-(4-methoxyphenyl)-N-phenylphthalazin-1-amine is sourced from PubChem (CID 5494639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).