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

C23H21N3O2 — CID 127033204

IUPACN-(4-methoxyphenyl)-4-[(4-methoxyphenyl)methyl]phthalazin-1-amine
SMILESCOc1ccc(Cc2nnc(Nc3ccc(OC)cc3)c3ccccc23)cc1
InChIInChI=1S/C23H21N3O2/c1-27-18-11-7-16(8-12-18)15-22-20-5-3-4-6-21(20)23(26-25-22)24-17-9-13-19(28-2)14-10-17/h3-14H,15H2,1-2H3,(H,24,26)
InChIKeyNYPNJNGDWNGVBO-UHFFFAOYSA-N
MW371.44 g/mol
LogP4.98
Rot. Bonds6

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

N-(4-methoxyphenyl)-4-[(4-methoxyphenyl)methyl]phthalazin-1-amine (PubChem CID 127033204) has the molecular formula C23H21N3O2 and a molecular weight of 371.44 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-4-[(4-methoxyphenyl)methyl]phthalazin-1-amine.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-4-[(4-methoxyphenyl)methyl]phthalazin-1-amine
PubChem CID127033204
Molecular FormulaC23H21N3O2
Molecular Weight371.44 g/mol
Exact Mass371.16
IUPAC NameN-(4-methoxyphenyl)-4-[(4-methoxyphenyl)methyl]phthalazin-1-amine
SMILESCOc1ccc(Cc2nnc(Nc3ccc(OC)cc3)c3ccccc23)cc1
InChIInChI=1S/C23H21N3O2/c1-27-18-11-7-16(8-12-18)15-22-20-5-3-4-6-21(20)23(26-25-22)24-17-9-13-19(28-2)14-10-17/h3-14H,15H2,1-2H3,(H,24,26)
InChIKeyNYPNJNGDWNGVBO-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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Related Compounds

N-(4-methoxyphenyl)-4-methylphthalazin-1-amine
CID 3124064
3-{[(1Z)-4-(4-hydroxyphenyl)phthalazin-1(2H)-ylidene]amino}phenol
CID 1419264
N-Methyl-2-[4-(4-methyl-phthalazin-1-ylamino)-phenoxy]-acetamide
CID 16682703
Methyl 4-(4-(4-(chlorodifluoromethoxy)phenylamino)phthalazin-1-yl)benzoate
CID 5292029
1-(4-Ethoxyphenyl)-4-(piperidin-1-yl)phthalazine
CID 6401112
4-((4-(4-Ethoxyphenyl)phthalazin-1-yl)amino)benzenesulfonamide
CID 6403594
4-(4-ethoxyphenyl)-N-(4-methylphenyl)phthalazin-1-amine
CID 6407032
4-{4-[(4-Methoxyphenyl)amino]phthalazin-1-yl}benzamide
CID 1391316
4-(4-((4-Methoxyphenyl)amino)phthalazin-1-yl)phenol
CID 1394168
N-(4-{[4-(4-hydroxyphenyl)phthalazin-1-yl]amino}phenyl)acetamide
CID 1419995
4-(4-methoxyphenyl)-N-phenylphthalazin-1-amine
CID 5494639
3-[[4-(3-Methoxyphenyl)phthalazin-1-yl]amino]benzenesulfonamide
CID 71607912

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-4-[(4-methoxyphenyl)methyl]phthalazin-1-amine?
The IUPAC name of N-(4-methoxyphenyl)-4-[(4-methoxyphenyl)methyl]phthalazin-1-amine (CID 127033204) is N-(4-methoxyphenyl)-4-[(4-methoxyphenyl)methyl]phthalazin-1-amine.
What is the SMILES notation for N-(4-methoxyphenyl)-4-[(4-methoxyphenyl)methyl]phthalazin-1-amine?
The canonical SMILES for N-(4-methoxyphenyl)-4-[(4-methoxyphenyl)methyl]phthalazin-1-amine is COc1ccc(Cc2nnc(Nc3ccc(OC)cc3)c3ccccc23)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-4-[(4-methoxyphenyl)methyl]phthalazin-1-amine?
The InChIKey is NYPNJNGDWNGVBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O2/c1-27-18-11-7-16(8-12-18)15-22-20-5-3-4-6-21(20)23(26-25-22)24-17-9-13-19(28-2)14-10-17/h3-14H,15H2,1-2H3,(H,24,26).
What are the key properties of N-(4-methoxyphenyl)-4-[(4-methoxyphenyl)methyl]phthalazin-1-amine?
N-(4-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-(4-methoxyphenyl)-4-[(4-methoxyphenyl)methyl]phthalazin-1-amine is sourced from PubChem (CID 127033204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).