1-(3-methoxyphenyl)-4-(4-methylpiperazin-1-yl)phthalazine

C20H22N4O — CID 101106350

IUPAC1-(3-methoxyphenyl)-4-(4-methylpiperazin-1-yl)phthalazine
SMILESCOc1cccc(-c2nnc(N3CCN(C)CC3)c3ccccc23)c1
InChIInChI=1S/C20H22N4O/c1-23-10-12-24(13-11-23)20-18-9-4-3-8-17(18)19(21-22-20)15-6-5-7-16(14-15)25-2/h3-9,14H,10-13H2,1-2H3
InChIKeyZBHAMXBDAIALRF-UHFFFAOYSA-N
MW334.42 g/mol
LogP3.06
Rot. Bonds3

About 1-(3-methoxyphenyl)-4-(4-methylpiperazin-1-yl)phthalazine

1-(3-methoxyphenyl)-4-(4-methylpiperazin-1-yl)phthalazine (PubChem CID 101106350) has the molecular formula C20H22N4O and a molecular weight of 334.42 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-4-(4-methylpiperazin-1-yl)phthalazine.

Molecular Properties

Compound Name1-(3-methoxyphenyl)-4-(4-methylpiperazin-1-yl)phthalazine
PubChem CID101106350
Molecular FormulaC20H22N4O
Molecular Weight334.42 g/mol
Exact Mass334.18
IUPAC Name1-(3-methoxyphenyl)-4-(4-methylpiperazin-1-yl)phthalazine
SMILESCOc1cccc(-c2nnc(N3CCN(C)CC3)c3ccccc23)c1
InChIInChI=1S/C20H22N4O/c1-23-10-12-24(13-11-23)20-18-9-4-3-8-17(18)19(21-22-20)15-6-5-7-16(14-15)25-2/h3-9,14H,10-13H2,1-2H3
InChIKeyZBHAMXBDAIALRF-UHFFFAOYSA-N
XLogP3.06
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-(3-methoxyphenyl)-4-(4-methylpiperazin-1-yl)phthalazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-methylpiperazin-1-yl)-4-phenylphthalazine;hydrochloride
CID 45261463
1-(4-methoxyphenyl)-4-(4-methylpiperazin-1-yl)pyridazino[4,5-d]pyridazine
CID 171976196
N-(3-methoxyphenyl)-2-[4-(4-phenylphthalazin-1-yl)piperazin-1-yl]acetamide
CID 127036821
[4-[4-(3-methoxyphenyl)piperazin-1-yl]phthalazin-1-yl]-(4-methylpiperazin-1-yl)methanone
CID 42691138
4-[4-(4-methoxyphenyl)phthalazin-1-yl]morpholine
CID 6401297
1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-4-phenylphthalazine
CID 6407605
1,3-dimethoxybenzene;ethane;1-methyl-4-phenylpiperazine
CID 171522133
2,3,5,6-tetrakis(3-methoxyphenyl)pyrazine
CID 132941107
methyl 4-(4-methylpiperazin-1-yl)phthalazine-1-carboxylate
CID 6418780
[4-[4-(3-methoxyphenyl)piperazin-1-yl]phthalazin-1-yl]-pyrrolidin-1-ylmethanone
CID 42691115
1-(4-benzhydrylpiperazin-1-yl)-4-(3,4-dimethylphenyl)phthalazine
CID 6408766
8-methoxy-3-(3-methoxyphenyl)-1-[2-methyl-5-(4-methylpiperazin-1-yl)phenyl]pyrazolo[4,3-c]quinoline
CID 171853891

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)-4-(4-methylpiperazin-1-yl)phthalazine?
The IUPAC name of 1-(3-methoxyphenyl)-4-(4-methylpiperazin-1-yl)phthalazine (CID 101106350) is 1-(3-methoxyphenyl)-4-(4-methylpiperazin-1-yl)phthalazine.
What is the SMILES notation for 1-(3-methoxyphenyl)-4-(4-methylpiperazin-1-yl)phthalazine?
The canonical SMILES for 1-(3-methoxyphenyl)-4-(4-methylpiperazin-1-yl)phthalazine is COc1cccc(-c2nnc(N3CCN(C)CC3)c3ccccc23)c1.
What is the InChIKey of 1-(3-methoxyphenyl)-4-(4-methylpiperazin-1-yl)phthalazine?
The InChIKey is ZBHAMXBDAIALRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O/c1-23-10-12-24(13-11-23)20-18-9-4-3-8-17(18)19(21-22-20)15-6-5-7-16(14-15)25-2/h3-9,14H,10-13H2,1-2H3.
What are the key properties of 1-(3-methoxyphenyl)-4-(4-methylpiperazin-1-yl)phthalazine?
1-(3-methoxyphenyl)-4-(4-methylpiperazin-1-yl)phthalazine has a molecular weight of 334.42 g/mol, XLogP of 3.06, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)-4-(4-methylpiperazin-1-yl)phthalazine is sourced from PubChem (CID 101106350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).