N-(2,5-dimethylphenyl)-6,7-dimethoxy-4-(4-methylphenyl)phthalazin-1-amine

C25H25N3O2 — CID 70226955

IUPACN-(2,5-dimethylphenyl)-6,7-dimethoxy-4-(4-methylphenyl)phthalazin-1-amine
SMILESCOc1cc2c(Nc3cc(C)ccc3C)nnc(-c3ccc(C)cc3)c2cc1OC
InChIInChI=1S/C25H25N3O2/c1-15-7-10-18(11-8-15)24-19-13-22(29-4)23(30-5)14-20(19)25(28-27-24)26-21-12-16(2)6-9-17(21)3/h6-14H,1-5H3,(H,26,28)
InChIKeySXEZWTCWGQRLMK-UHFFFAOYSA-N
MW399.49 g/mol
LogP5.98
Rot. Bonds5

About N-(2,5-dimethylphenyl)-6,7-dimethoxy-4-(4-methylphenyl)phthalazin-1-amine

N-(2,5-dimethylphenyl)-6,7-dimethoxy-4-(4-methylphenyl)phthalazin-1-amine (PubChem CID 70226955) has the molecular formula C25H25N3O2 and a molecular weight of 399.49 g/mol. Its IUPAC name is N-(2,5-dimethylphenyl)-6,7-dimethoxy-4-(4-methylphenyl)phthalazin-1-amine.

Molecular Properties

Compound NameN-(2,5-dimethylphenyl)-6,7-dimethoxy-4-(4-methylphenyl)phthalazin-1-amine
PubChem CID70226955
Molecular FormulaC25H25N3O2
Molecular Weight399.49 g/mol
Exact Mass399.19
IUPAC NameN-(2,5-dimethylphenyl)-6,7-dimethoxy-4-(4-methylphenyl)phthalazin-1-amine
SMILESCOc1cc2c(Nc3cc(C)ccc3C)nnc(-c3ccc(C)cc3)c2cc1OC
InChIInChI=1S/C25H25N3O2/c1-15-7-10-18(11-8-15)24-19-13-22(29-4)23(30-5)14-20(19)25(28-27-24)26-21-12-16(2)6-9-17(21)3/h6-14H,1-5H3,(H,26,28)
InChIKeySXEZWTCWGQRLMK-UHFFFAOYSA-N
XLogP5.98
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.49
LogP ≤ 55.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylphenyl)-6,7-dimethoxy-4-(4-methylphenyl)phthalazin-1-amine?
The IUPAC name of N-(2,5-dimethylphenyl)-6,7-dimethoxy-4-(4-methylphenyl)phthalazin-1-amine (CID 70226955) is N-(2,5-dimethylphenyl)-6,7-dimethoxy-4-(4-methylphenyl)phthalazin-1-amine.
What is the SMILES notation for N-(2,5-dimethylphenyl)-6,7-dimethoxy-4-(4-methylphenyl)phthalazin-1-amine?
The canonical SMILES for N-(2,5-dimethylphenyl)-6,7-dimethoxy-4-(4-methylphenyl)phthalazin-1-amine is COc1cc2c(Nc3cc(C)ccc3C)nnc(-c3ccc(C)cc3)c2cc1OC.
What is the InChIKey of N-(2,5-dimethylphenyl)-6,7-dimethoxy-4-(4-methylphenyl)phthalazin-1-amine?
The InChIKey is SXEZWTCWGQRLMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O2/c1-15-7-10-18(11-8-15)24-19-13-22(29-4)23(30-5)14-20(19)25(28-27-24)26-21-12-16(2)6-9-17(21)3/h6-14H,1-5H3,(H,26,28).
What are the key properties of N-(2,5-dimethylphenyl)-6,7-dimethoxy-4-(4-methylphenyl)phthalazin-1-amine?
N-(2,5-dimethylphenyl)-6,7-dimethoxy-4-(4-methylphenyl)phthalazin-1-amine has a molecular weight of 399.49 g/mol, XLogP of 5.98, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylphenyl)-6,7-dimethoxy-4-(4-methylphenyl)phthalazin-1-amine is sourced from PubChem (CID 70226955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).