N-(3-methoxyphenyl)-4-[(4-methoxyphenyl)methyl]phthalazin-1-amine

C23H21N3O2 — CID 127033203

IUPACN-(3-methoxyphenyl)-4-[(4-methoxyphenyl)methyl]phthalazin-1-amine
SMILESCOc1ccc(Cc2nnc(Nc3cccc(OC)c3)c3ccccc23)cc1
InChIInChI=1S/C23H21N3O2/c1-27-18-12-10-16(11-13-18)14-22-20-8-3-4-9-21(20)23(26-25-22)24-17-6-5-7-19(15-17)28-2/h3-13,15H,14H2,1-2H3,(H,24,26)
InChIKeyOYLYGJJIFNWAKJ-UHFFFAOYSA-N
MW371.44 g/mol
LogP4.98
Rot. Bonds6

About N-(3-methoxyphenyl)-4-[(4-methoxyphenyl)methyl]phthalazin-1-amine

N-(3-methoxyphenyl)-4-[(4-methoxyphenyl)methyl]phthalazin-1-amine (PubChem CID 127033203) has the molecular formula C23H21N3O2 and a molecular weight of 371.44 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-4-[(4-methoxyphenyl)methyl]phthalazin-1-amine.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-4-[(4-methoxyphenyl)methyl]phthalazin-1-amine
PubChem CID127033203
Molecular FormulaC23H21N3O2
Molecular Weight371.44 g/mol
Exact Mass371.16
IUPAC NameN-(3-methoxyphenyl)-4-[(4-methoxyphenyl)methyl]phthalazin-1-amine
SMILESCOc1ccc(Cc2nnc(Nc3cccc(OC)c3)c3ccccc23)cc1
InChIInChI=1S/C23H21N3O2/c1-27-18-12-10-16(11-13-18)14-22-20-8-3-4-9-21(20)23(26-25-22)24-17-6-5-7-19(15-17)28-2/h3-13,15H,14H2,1-2H3,(H,24,26)
InChIKeyOYLYGJJIFNWAKJ-UHFFFAOYSA-N
XLogP4.98
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-4-[(4-methoxyphenyl)methyl]phthalazin-1-amine?
The IUPAC name of N-(3-methoxyphenyl)-4-[(4-methoxyphenyl)methyl]phthalazin-1-amine (CID 127033203) is N-(3-methoxyphenyl)-4-[(4-methoxyphenyl)methyl]phthalazin-1-amine.
What is the SMILES notation for N-(3-methoxyphenyl)-4-[(4-methoxyphenyl)methyl]phthalazin-1-amine?
The canonical SMILES for N-(3-methoxyphenyl)-4-[(4-methoxyphenyl)methyl]phthalazin-1-amine is COc1ccc(Cc2nnc(Nc3cccc(OC)c3)c3ccccc23)cc1.
What is the InChIKey of N-(3-methoxyphenyl)-4-[(4-methoxyphenyl)methyl]phthalazin-1-amine?
The InChIKey is OYLYGJJIFNWAKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O2/c1-27-18-12-10-16(11-13-18)14-22-20-8-3-4-9-21(20)23(26-25-22)24-17-6-5-7-19(15-17)28-2/h3-13,15H,14H2,1-2H3,(H,24,26).
What are the key properties of N-(3-methoxyphenyl)-4-[(4-methoxyphenyl)methyl]phthalazin-1-amine?
N-(3-methoxyphenyl)-4-[(4-methoxyphenyl)methyl]phthalazin-1-amine has a molecular weight of 371.44 g/mol, XLogP of 4.98, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)-4-[(4-methoxyphenyl)methyl]phthalazin-1-amine is sourced from PubChem (CID 127033203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).