(2R)-2-amino-1-[4-[4-(4-chlorophenyl)phthalazin-1-yl]piperazin-1-yl]propan-1-one

C21H22ClN5O — CID 139384213

IUPAC(2R)-2-amino-1-[4-[4-(4-chlorophenyl)phthalazin-1-yl]piperazin-1-yl]propan-1-one
SMILESC[C@@H](N)C(=O)N1CCN(c2nnc(-c3ccc(Cl)cc3)c3ccccc23)CC1
InChIInChI=1S/C21H22ClN5O/c1-14(23)21(28)27-12-10-26(11-13-27)20-18-5-3-2-4-17(18)19(24-25-20)15-6-8-16(22)9-7-15/h2-9,14H,10-13,23H2,1H3/t14-/m1/s1
InChIKeyBIYXUVIKZARUQM-CQSZACIVSA-N
MW395.89 g/mol
LogP2.95
Rot. Bonds3

About (2R)-2-amino-1-[4-[4-(4-chlorophenyl)phthalazin-1-yl]piperazin-1-yl]propan-1-one

(2R)-2-amino-1-[4-[4-(4-chlorophenyl)phthalazin-1-yl]piperazin-1-yl]propan-1-one (PubChem CID 139384213) has the molecular formula C21H22ClN5O and a molecular weight of 395.89 g/mol. Its IUPAC name is (2R)-2-amino-1-[4-[4-(4-chlorophenyl)phthalazin-1-yl]piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name(2R)-2-amino-1-[4-[4-(4-chlorophenyl)phthalazin-1-yl]piperazin-1-yl]propan-1-one
PubChem CID139384213
Molecular FormulaC21H22ClN5O
Molecular Weight395.89 g/mol
Exact Mass395.15
IUPAC Name(2R)-2-amino-1-[4-[4-(4-chlorophenyl)phthalazin-1-yl]piperazin-1-yl]propan-1-one
SMILESC[C@@H](N)C(=O)N1CCN(c2nnc(-c3ccc(Cl)cc3)c3ccccc23)CC1
InChIInChI=1S/C21H22ClN5O/c1-14(23)21(28)27-12-10-26(11-13-27)20-18-5-3-2-4-17(18)19(24-25-20)15-6-8-16(22)9-7-15/h2-9,14H,10-13,23H2,1H3/t14-/m1/s1
InChIKeyBIYXUVIKZARUQM-CQSZACIVSA-N
XLogP2.95
TPSA75.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.89
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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
4-(4-chlorophenyl)-N-[2-(pyrrolidin-1-yl)ethyl]phthalazin-1-amine
CID 1069155
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 (2R)-2-amino-1-[4-[4-(4-chlorophenyl)phthalazin-1-yl]piperazin-1-yl]propan-1-one?
The IUPAC name of (2R)-2-amino-1-[4-[4-(4-chlorophenyl)phthalazin-1-yl]piperazin-1-yl]propan-1-one (CID 139384213) is (2R)-2-amino-1-[4-[4-(4-chlorophenyl)phthalazin-1-yl]piperazin-1-yl]propan-1-one.
What is the SMILES notation for (2R)-2-amino-1-[4-[4-(4-chlorophenyl)phthalazin-1-yl]piperazin-1-yl]propan-1-one?
The canonical SMILES for (2R)-2-amino-1-[4-[4-(4-chlorophenyl)phthalazin-1-yl]piperazin-1-yl]propan-1-one is C[C@@H](N)C(=O)N1CCN(c2nnc(-c3ccc(Cl)cc3)c3ccccc23)CC1.
What is the InChIKey of (2R)-2-amino-1-[4-[4-(4-chlorophenyl)phthalazin-1-yl]piperazin-1-yl]propan-1-one?
The InChIKey is BIYXUVIKZARUQM-CQSZACIVSA-N. The full InChI is InChI=1S/C21H22ClN5O/c1-14(23)21(28)27-12-10-26(11-13-27)20-18-5-3-2-4-17(18)19(24-25-20)15-6-8-16(22)9-7-15/h2-9,14H,10-13,23H2,1H3/t14-/m1/s1.
What are the key properties of (2R)-2-amino-1-[4-[4-(4-chlorophenyl)phthalazin-1-yl]piperazin-1-yl]propan-1-one?
(2R)-2-amino-1-[4-[4-(4-chlorophenyl)phthalazin-1-yl]piperazin-1-yl]propan-1-one has a molecular weight of 395.89 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-1-[4-[4-(4-chlorophenyl)phthalazin-1-yl]piperazin-1-yl]propan-1-one is sourced from PubChem (CID 139384213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).