phenyl-[4-(4-phenylphthalazin-1-yl)piperazin-1-yl]methanone

C25H22N4O — CID 6407374

IUPACphenyl-[4-(4-phenylphthalazin-1-yl)piperazin-1-yl]methanone
SMILESO=C(c1ccccc1)N1CCN(c2nnc(-c3ccccc3)c3ccccc23)CC1
InChIInChI=1S/C25H22N4O/c30-25(20-11-5-2-6-12-20)29-17-15-28(16-18-29)24-22-14-8-7-13-21(22)23(26-27-24)19-9-3-1-4-10-19/h1-14H,15-18H2
InChIKeyOEZQQFDHMPRYIY-UHFFFAOYSA-N
MW394.48 g/mol
LogP4.26
Rot. Bonds3

About phenyl-[4-(4-phenylphthalazin-1-yl)piperazin-1-yl]methanone

phenyl-[4-(4-phenylphthalazin-1-yl)piperazin-1-yl]methanone (PubChem CID 6407374) has the molecular formula C25H22N4O and a molecular weight of 394.48 g/mol. Its IUPAC name is phenyl-[4-(4-phenylphthalazin-1-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Namephenyl-[4-(4-phenylphthalazin-1-yl)piperazin-1-yl]methanone
PubChem CID6407374
Molecular FormulaC25H22N4O
Molecular Weight394.48 g/mol
Exact Mass394.18
IUPAC Namephenyl-[4-(4-phenylphthalazin-1-yl)piperazin-1-yl]methanone
SMILESO=C(c1ccccc1)N1CCN(c2nnc(-c3ccccc3)c3ccccc23)CC1
InChIInChI=1S/C25H22N4O/c30-25(20-11-5-2-6-12-20)29-17-15-28(16-18-29)24-22-14-8-7-13-21(22)23(26-27-24)19-9-3-1-4-10-19/h1-14H,15-18H2
InChIKeyOEZQQFDHMPRYIY-UHFFFAOYSA-N
XLogP4.26
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.48
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of phenyl-[4-(4-phenylphthalazin-1-yl)piperazin-1-yl]methanone?
The IUPAC name of phenyl-[4-(4-phenylphthalazin-1-yl)piperazin-1-yl]methanone (CID 6407374) is phenyl-[4-(4-phenylphthalazin-1-yl)piperazin-1-yl]methanone.
What is the SMILES notation for phenyl-[4-(4-phenylphthalazin-1-yl)piperazin-1-yl]methanone?
The canonical SMILES for phenyl-[4-(4-phenylphthalazin-1-yl)piperazin-1-yl]methanone is O=C(c1ccccc1)N1CCN(c2nnc(-c3ccccc3)c3ccccc23)CC1.
What is the InChIKey of phenyl-[4-(4-phenylphthalazin-1-yl)piperazin-1-yl]methanone?
The InChIKey is OEZQQFDHMPRYIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N4O/c30-25(20-11-5-2-6-12-20)29-17-15-28(16-18-29)24-22-14-8-7-13-21(22)23(26-27-24)19-9-3-1-4-10-19/h1-14H,15-18H2.
What are the key properties of phenyl-[4-(4-phenylphthalazin-1-yl)piperazin-1-yl]methanone?
phenyl-[4-(4-phenylphthalazin-1-yl)piperazin-1-yl]methanone has a molecular weight of 394.48 g/mol, XLogP of 4.26, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-[4-(4-phenylphthalazin-1-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 6407374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).