(2-chlorophenyl)-[4-(4-phenylphthalazin-1-yl)piperazin-1-yl]methanone

C25H21ClN4O — CID 6407348

IUPAC(2-chlorophenyl)-[4-(4-phenylphthalazin-1-yl)piperazin-1-yl]methanone
SMILESO=C(c1ccccc1Cl)N1CCN(c2nnc(-c3ccccc3)c3ccccc23)CC1
InChIInChI=1S/C25H21ClN4O/c26-22-13-7-6-12-21(22)25(31)30-16-14-29(15-17-30)24-20-11-5-4-10-19(20)23(27-28-24)18-8-2-1-3-9-18/h1-13H,14-17H2
InChIKeyZLRFSVVXTVXQKU-UHFFFAOYSA-N
MW428.92 g/mol
LogP4.91
Rot. Bonds3

About (2-chlorophenyl)-[4-(4-phenylphthalazin-1-yl)piperazin-1-yl]methanone

(2-chlorophenyl)-[4-(4-phenylphthalazin-1-yl)piperazin-1-yl]methanone (PubChem CID 6407348) has the molecular formula C25H21ClN4O and a molecular weight of 428.92 g/mol. Its IUPAC name is (2-chlorophenyl)-[4-(4-phenylphthalazin-1-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(2-chlorophenyl)-[4-(4-phenylphthalazin-1-yl)piperazin-1-yl]methanone
PubChem CID6407348
Molecular FormulaC25H21ClN4O
Molecular Weight428.92 g/mol
Exact Mass428.14
IUPAC Name(2-chlorophenyl)-[4-(4-phenylphthalazin-1-yl)piperazin-1-yl]methanone
SMILESO=C(c1ccccc1Cl)N1CCN(c2nnc(-c3ccccc3)c3ccccc23)CC1
InChIInChI=1S/C25H21ClN4O/c26-22-13-7-6-12-21(22)25(31)30-16-14-29(15-17-30)24-20-11-5-4-10-19(20)23(27-28-24)18-8-2-1-3-9-18/h1-13H,14-17H2
InChIKeyZLRFSVVXTVXQKU-UHFFFAOYSA-N
XLogP4.91
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.92
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-chlorophenyl)-[4-(4-phenylphthalazin-1-yl)piperazin-1-yl]methanone?
The IUPAC name of (2-chlorophenyl)-[4-(4-phenylphthalazin-1-yl)piperazin-1-yl]methanone (CID 6407348) is (2-chlorophenyl)-[4-(4-phenylphthalazin-1-yl)piperazin-1-yl]methanone.
What is the SMILES notation for (2-chlorophenyl)-[4-(4-phenylphthalazin-1-yl)piperazin-1-yl]methanone?
The canonical SMILES for (2-chlorophenyl)-[4-(4-phenylphthalazin-1-yl)piperazin-1-yl]methanone is O=C(c1ccccc1Cl)N1CCN(c2nnc(-c3ccccc3)c3ccccc23)CC1.
What is the InChIKey of (2-chlorophenyl)-[4-(4-phenylphthalazin-1-yl)piperazin-1-yl]methanone?
The InChIKey is ZLRFSVVXTVXQKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21ClN4O/c26-22-13-7-6-12-21(22)25(31)30-16-14-29(15-17-30)24-20-11-5-4-10-19(20)23(27-28-24)18-8-2-1-3-9-18/h1-13H,14-17H2.
What are the key properties of (2-chlorophenyl)-[4-(4-phenylphthalazin-1-yl)piperazin-1-yl]methanone?
(2-chlorophenyl)-[4-(4-phenylphthalazin-1-yl)piperazin-1-yl]methanone has a molecular weight of 428.92 g/mol, XLogP of 4.91, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chlorophenyl)-[4-(4-phenylphthalazin-1-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 6407348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).