[4-[4-(4-chlorophenyl)phthalazin-1-yl]piperazin-1-yl]-cyclopropylmethanone

C22H21ClN4O — CID 134471420

IUPAC[4-[4-(4-chlorophenyl)phthalazin-1-yl]piperazin-1-yl]-cyclopropylmethanone
SMILESO=C(C1CC1)N1CCN(c2nnc(-c3ccc(Cl)cc3)c3ccccc23)CC1
InChIInChI=1S/C22H21ClN4O/c23-17-9-7-15(8-10-17)20-18-3-1-2-4-19(18)21(25-24-20)26-11-13-27(14-12-26)22(28)16-5-6-16/h1-4,7-10,16H,5-6,11-14H2
InChIKeyWVZWZCOAVIFGMC-UHFFFAOYSA-N
MW392.89 g/mol
LogP4.01
Rot. Bonds3

About [4-[4-(4-chlorophenyl)phthalazin-1-yl]piperazin-1-yl]-cyclopropylmethanone

[4-[4-(4-chlorophenyl)phthalazin-1-yl]piperazin-1-yl]-cyclopropylmethanone (PubChem CID 134471420) has the molecular formula C22H21ClN4O and a molecular weight of 392.89 g/mol. Its IUPAC name is [4-[4-(4-chlorophenyl)phthalazin-1-yl]piperazin-1-yl]-cyclopropylmethanone.

Molecular Properties

Compound Name[4-[4-(4-chlorophenyl)phthalazin-1-yl]piperazin-1-yl]-cyclopropylmethanone
PubChem CID134471420
Molecular FormulaC22H21ClN4O
Molecular Weight392.89 g/mol
Exact Mass392.14
IUPAC Name[4-[4-(4-chlorophenyl)phthalazin-1-yl]piperazin-1-yl]-cyclopropylmethanone
SMILESO=C(C1CC1)N1CCN(c2nnc(-c3ccc(Cl)cc3)c3ccccc23)CC1
InChIInChI=1S/C22H21ClN4O/c23-17-9-7-15(8-10-17)20-18-3-1-2-4-19(18)21(25-24-20)26-11-13-27(14-12-26)22(28)16-5-6-16/h1-4,7-10,16H,5-6,11-14H2
InChIKeyWVZWZCOAVIFGMC-UHFFFAOYSA-N
XLogP4.01
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.89
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(R)-(4-(4-(4-chlorophenyl)phthalazin-1-yl)-3-methylpiperazin-1-yl)(phenyl)methanone
CID 46891199
1-[4-(4-Phenylphthalazin-1-yl)piperazin-1-yl]ethanone
CID 2953198
1-[4-[4-(4-Methylphenyl)phthalazin-1-yl]piperazin-1-yl]ethanone
CID 2952514
Phenyl(4-(4-phenylphthalazin-1-yl)piperazin-1-yl)methanone
CID 6407374
1-[4-(4-Phenylphthalazin-1-yl)piperazin-1-yl]butan-1-one
CID 2952822
Cyclohexyl-[4-(4-phenylphthalazin-1-yl)piperazin-1-yl]methanone
CID 2953176
1-(4-Butyrylpiperazin-1-yl)-4-(4-methylphenyl)phthalazine
CID 6413099
(S)-(4-(4-(4-chlorophenyl)phthalazin-1-yl)-2-methylpiperazin-1-yl)(phenyl)methanone
CID 46891165
1-[4-(4-Phenylphthalazin-1-yl)piperazin-1-yl]propan-1-one
CID 3155244
1-(4-Chlorophenyl)-4-(4-methylpiperazin-1-yl)phthalazine
CID 6412221
(4-(4-(3,4-Dichlorophenyl)phthalazin-1-yl)piperazin-1-yl)(phenyl)methanone
CID 46890991
(4-(4-(4-Chlorophenyl)phthalazin-1-yl)piperazin-1-yl)(phenyl)methanone
CID 46890992

Frequently Asked Questions

What is the IUPAC name of [4-[4-(4-chlorophenyl)phthalazin-1-yl]piperazin-1-yl]-cyclopropylmethanone?
The IUPAC name of [4-[4-(4-chlorophenyl)phthalazin-1-yl]piperazin-1-yl]-cyclopropylmethanone (CID 134471420) is [4-[4-(4-chlorophenyl)phthalazin-1-yl]piperazin-1-yl]-cyclopropylmethanone.
What is the SMILES notation for [4-[4-(4-chlorophenyl)phthalazin-1-yl]piperazin-1-yl]-cyclopropylmethanone?
The canonical SMILES for [4-[4-(4-chlorophenyl)phthalazin-1-yl]piperazin-1-yl]-cyclopropylmethanone is O=C(C1CC1)N1CCN(c2nnc(-c3ccc(Cl)cc3)c3ccccc23)CC1.
What is the InChIKey of [4-[4-(4-chlorophenyl)phthalazin-1-yl]piperazin-1-yl]-cyclopropylmethanone?
The InChIKey is WVZWZCOAVIFGMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClN4O/c23-17-9-7-15(8-10-17)20-18-3-1-2-4-19(18)21(25-24-20)26-11-13-27(14-12-26)22(28)16-5-6-16/h1-4,7-10,16H,5-6,11-14H2.
What are the key properties of [4-[4-(4-chlorophenyl)phthalazin-1-yl]piperazin-1-yl]-cyclopropylmethanone?
[4-[4-(4-chlorophenyl)phthalazin-1-yl]piperazin-1-yl]-cyclopropylmethanone has a molecular weight of 392.89 g/mol, XLogP of 4.01, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-(4-chlorophenyl)phthalazin-1-yl]piperazin-1-yl]-cyclopropylmethanone is sourced from PubChem (CID 134471420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).