[4-[4-(3-methoxyphenyl)phthalazin-1-yl]piperazin-1-yl]-phenylmethanone

C26H24N4O2 — CID 46891046

IUPAC[4-[4-(3-methoxyphenyl)phthalazin-1-yl]piperazin-1-yl]-phenylmethanone
SMILESCOc1cccc(-c2nnc(N3CCN(C(=O)c4ccccc4)CC3)c3ccccc23)c1
InChIInChI=1S/C26H24N4O2/c1-32-21-11-7-10-20(18-21)24-22-12-5-6-13-23(22)25(28-27-24)29-14-16-30(17-15-29)26(31)19-8-3-2-4-9-19/h2-13,18H,14-17H2,1H3
InChIKeyKFQXLGDDSNDVJS-UHFFFAOYSA-N
MW424.50 g/mol
LogP4.27
Rot. Bonds4

About [4-[4-(3-methoxyphenyl)phthalazin-1-yl]piperazin-1-yl]-phenylmethanone

[4-[4-(3-methoxyphenyl)phthalazin-1-yl]piperazin-1-yl]-phenylmethanone (PubChem CID 46891046) has the molecular formula C26H24N4O2 and a molecular weight of 424.50 g/mol. Its IUPAC name is [4-[4-(3-methoxyphenyl)phthalazin-1-yl]piperazin-1-yl]-phenylmethanone.

Molecular Properties

Compound Name[4-[4-(3-methoxyphenyl)phthalazin-1-yl]piperazin-1-yl]-phenylmethanone
PubChem CID46891046
Molecular FormulaC26H24N4O2
Molecular Weight424.50 g/mol
Exact Mass424.19
IUPAC Name[4-[4-(3-methoxyphenyl)phthalazin-1-yl]piperazin-1-yl]-phenylmethanone
SMILESCOc1cccc(-c2nnc(N3CCN(C(=O)c4ccccc4)CC3)c3ccccc23)c1
InChIInChI=1S/C26H24N4O2/c1-32-21-11-7-10-20(18-21)24-22-12-5-6-13-23(22)25(28-27-24)29-14-16-30(17-15-29)26(31)19-8-3-2-4-9-19/h2-13,18H,14-17H2,1H3
InChIKeyKFQXLGDDSNDVJS-UHFFFAOYSA-N
XLogP4.27
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.50
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-p-Tolyloxy-1-[4-(4-p-tolyl-phthalazin-1-yl)-piperazin-1-yl]-ethanone
CID 6407401
2-Phenoxy-1-[4-(4-phenylphthalazin-1-yl)piperazin-1-yl]ethanone
CID 662606
2-(4-Methoxyphenoxy)-1-[4-(4-phenylphthalazin-1-yl)piperazin-1-yl]ethanone
CID 662795
1-[4-[4-(4-Methylphenyl)phthalazin-1-yl]piperazin-1-yl]-2-phenoxyethanone
CID 6407344
4-{4-[(4-Methoxyphenyl)amino]phthalazin-1-yl}benzamide
CID 1391316
(R)-(4-(4-(4-(hydroxymethyl)phenyl)phthalazin-1-yl)-3-methylpiperazin-1-yl)(phenyl)methanone
CID 46891248
4-(4-methoxyphenyl)-N-[4-methoxy-3-(1-piperidinylcarbonyl)phenyl]-1-phthalazinamine
CID 6403605
[2-Methoxy-5-[[4-(4-methylphenyl)-1-phthalazinyl]amino]phenyl]-(1-piperidinyl)methanone
CID 6407317
(2-Methoxy-5-((4-phenylphthalazin-1-yl)amino)phenyl)(piperidin-1-yl)methanone
CID 6413332
(4-(4-(4-Methoxyphenyl)phthalazin-1-yl)piperazin-1-yl)(phenyl)methanone
CID 46891044
(R)-4-(4-(4-benzoyl-2-methylpiperazin-1-yl)phthalazin-1-yl)phenyl acetate
CID 49862269
4-fluoro-N-[1-[6-(4-methoxyphenyl)-4,5-dimethylpyridazin-3-yl]piperidin-4-yl]-2-(trifluoromethyl)benzamide
CID 145960917

Frequently Asked Questions

What is the IUPAC name of [4-[4-(3-methoxyphenyl)phthalazin-1-yl]piperazin-1-yl]-phenylmethanone?
The IUPAC name of [4-[4-(3-methoxyphenyl)phthalazin-1-yl]piperazin-1-yl]-phenylmethanone (CID 46891046) is [4-[4-(3-methoxyphenyl)phthalazin-1-yl]piperazin-1-yl]-phenylmethanone.
What is the SMILES notation for [4-[4-(3-methoxyphenyl)phthalazin-1-yl]piperazin-1-yl]-phenylmethanone?
The canonical SMILES for [4-[4-(3-methoxyphenyl)phthalazin-1-yl]piperazin-1-yl]-phenylmethanone is COc1cccc(-c2nnc(N3CCN(C(=O)c4ccccc4)CC3)c3ccccc23)c1.
What is the InChIKey of [4-[4-(3-methoxyphenyl)phthalazin-1-yl]piperazin-1-yl]-phenylmethanone?
The InChIKey is KFQXLGDDSNDVJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N4O2/c1-32-21-11-7-10-20(18-21)24-22-12-5-6-13-23(22)25(28-27-24)29-14-16-30(17-15-29)26(31)19-8-3-2-4-9-19/h2-13,18H,14-17H2,1H3.
What are the key properties of [4-[4-(3-methoxyphenyl)phthalazin-1-yl]piperazin-1-yl]-phenylmethanone?
[4-[4-(3-methoxyphenyl)phthalazin-1-yl]piperazin-1-yl]-phenylmethanone has a molecular weight of 424.50 g/mol, XLogP of 4.27, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-(3-methoxyphenyl)phthalazin-1-yl]piperazin-1-yl]-phenylmethanone is sourced from PubChem (CID 46891046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).