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

C26H24N4O2 — CID 46891044

IUPAC[4-[4-(4-methoxyphenyl)phthalazin-1-yl]piperazin-1-yl]-phenylmethanone
SMILESCOc1ccc(-c2nnc(N3CCN(C(=O)c4ccccc4)CC3)c3ccccc23)cc1
InChIInChI=1S/C26H24N4O2/c1-32-21-13-11-19(12-14-21)24-22-9-5-6-10-23(22)25(28-27-24)29-15-17-30(18-16-29)26(31)20-7-3-2-4-8-20/h2-14H,15-18H2,1H3
InChIKeyPLDIKELNSMXLQR-UHFFFAOYSA-N
MW424.50 g/mol
LogP4.27
Rot. Bonds4

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

[4-[4-(4-methoxyphenyl)phthalazin-1-yl]piperazin-1-yl]-phenylmethanone (PubChem CID 46891044) has the molecular formula C26H24N4O2 and a molecular weight of 424.50 g/mol. Its IUPAC name is [4-[4-(4-methoxyphenyl)phthalazin-1-yl]piperazin-1-yl]-phenylmethanone.

Molecular Properties

Compound Name[4-[4-(4-methoxyphenyl)phthalazin-1-yl]piperazin-1-yl]-phenylmethanone
PubChem CID46891044
Molecular FormulaC26H24N4O2
Molecular Weight424.50 g/mol
Exact Mass424.19
IUPAC Name[4-[4-(4-methoxyphenyl)phthalazin-1-yl]piperazin-1-yl]-phenylmethanone
SMILESCOc1ccc(-c2nnc(N3CCN(C(=O)c4ccccc4)CC3)c3ccccc23)cc1
InChIInChI=1S/C26H24N4O2/c1-32-21-13-11-19(12-14-21)24-22-9-5-6-10-23(22)25(28-27-24)29-15-17-30(18-16-29)26(31)20-7-3-2-4-8-20/h2-14H,15-18H2,1H3
InChIKeyPLDIKELNSMXLQR-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
N,N-diethyl-2-{4-[4-(piperidin-1-yl)phthalazin-1-yl]phenoxy}acetamide
CID 3246775
1-(4-Ethoxyphenyl)-4-(piperidin-1-yl)phthalazine
CID 6401112
1-[4-[4-(4-Methylphenyl)phthalazin-1-yl]piperazin-1-yl]-2-phenoxyethanone
CID 6407344
(R)-(4-(4-(4-(hydroxymethyl)phenyl)phthalazin-1-yl)-3-methylpiperazin-1-yl)(phenyl)methanone
CID 46891248
4-[4-(4-Ethoxyphenyl)phthalazin-1-yl]morpholine
CID 6401111
1-(4-Methoxyphenyl)-4-(morpholin-4-yl)phthalazine
CID 6401297
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

Frequently Asked Questions

What is the IUPAC name of [4-[4-(4-methoxyphenyl)phthalazin-1-yl]piperazin-1-yl]-phenylmethanone?
The IUPAC name of [4-[4-(4-methoxyphenyl)phthalazin-1-yl]piperazin-1-yl]-phenylmethanone (CID 46891044) is [4-[4-(4-methoxyphenyl)phthalazin-1-yl]piperazin-1-yl]-phenylmethanone.
What is the SMILES notation for [4-[4-(4-methoxyphenyl)phthalazin-1-yl]piperazin-1-yl]-phenylmethanone?
The canonical SMILES for [4-[4-(4-methoxyphenyl)phthalazin-1-yl]piperazin-1-yl]-phenylmethanone is COc1ccc(-c2nnc(N3CCN(C(=O)c4ccccc4)CC3)c3ccccc23)cc1.
What is the InChIKey of [4-[4-(4-methoxyphenyl)phthalazin-1-yl]piperazin-1-yl]-phenylmethanone?
The InChIKey is PLDIKELNSMXLQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N4O2/c1-32-21-13-11-19(12-14-21)24-22-9-5-6-10-23(22)25(28-27-24)29-15-17-30(18-16-29)26(31)20-7-3-2-4-8-20/h2-14H,15-18H2,1H3.
What are the key properties of [4-[4-(4-methoxyphenyl)phthalazin-1-yl]piperazin-1-yl]-phenylmethanone?
[4-[4-(4-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-(4-methoxyphenyl)phthalazin-1-yl]piperazin-1-yl]-phenylmethanone is sourced from PubChem (CID 46891044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).