4-[4-(2-chlorophenyl)piperazine-1-carbonyl]-2H-phthalazin-1-one

C19H17ClN4O2 — CID 2097136

IUPAC4-[4-(2-chlorophenyl)piperazine-1-carbonyl]-2H-phthalazin-1-one
SMILESO=C(c1n[nH]c(=O)c2ccccc12)N1CCN(c2ccccc2Cl)CC1
InChIInChI=1S/C19H17ClN4O2/c20-15-7-3-4-8-16(15)23-9-11-24(12-10-23)19(26)17-13-5-1-2-6-14(13)18(25)22-21-17/h1-8H,9-12H2,(H,22,25)
InChIKeyIRWNKXJIRFUXFP-UHFFFAOYSA-N
MW368.82 g/mol
LogP2.54
Rot. Bonds2

About 4-[4-(2-chlorophenyl)piperazine-1-carbonyl]-2H-phthalazin-1-one

4-[4-(2-chlorophenyl)piperazine-1-carbonyl]-2H-phthalazin-1-one (PubChem CID 2097136) has the molecular formula C19H17ClN4O2 and a molecular weight of 368.82 g/mol. Its IUPAC name is 4-[4-(2-chlorophenyl)piperazine-1-carbonyl]-2H-phthalazin-1-one.

Molecular Properties

Compound Name4-[4-(2-chlorophenyl)piperazine-1-carbonyl]-2H-phthalazin-1-one
PubChem CID2097136
Molecular FormulaC19H17ClN4O2
Molecular Weight368.82 g/mol
Exact Mass368.10
IUPAC Name4-[4-(2-chlorophenyl)piperazine-1-carbonyl]-2H-phthalazin-1-one
SMILESO=C(c1n[nH]c(=O)c2ccccc12)N1CCN(c2ccccc2Cl)CC1
InChIInChI=1S/C19H17ClN4O2/c20-15-7-3-4-8-16(15)23-9-11-24(12-10-23)19(26)17-13-5-1-2-6-14(13)18(25)22-21-17/h1-8H,9-12H2,(H,22,25)
InChIKeyIRWNKXJIRFUXFP-UHFFFAOYSA-N
XLogP2.54
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.82
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(2,4-dichloroanilino)methyl]-1(2H)-phthalazinone
CID 371946
4-({3-[(4-Phenylpiperazin-1-yl)carbonyl]phenyl}methyl)-1,2-dihydrophthalazin-1-one
CID 25133279
4-({4-Fluoro-3-[(4-phenylpiperazin-1-yl)carbonyl]phenyl}methyl)-1,2-dihydrophthalazin-1-one
CID 25133280
5-Acetyl-4-{2-[4-(2-chloro-phenyl)-piperazin-1-yl]-ethylamino}-2-methyl-6-phenyl-2H-pyridazin-3-one
CID 11134424
2-[4-[(4-chlorophenyl)methyl]-1-oxophthalazin-2-yl]-N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]acetamide
CID 168282377
N-(2,4-dichlorophenyl)-2-(4-methyl-1-oxophthalazin-2(1H)-yl)acetamide
CID 1122988
N-(4-chlorophenyl)-2-(3-methyl-4-oxo-3,4-dihydrophthalazin-1-yl)acetamide
CID 718212
4-(4-Phenylpiperazine-1-carbonyl)-2-propan-2-ylphthalazin-1-one
CID 2598398
N-[3-[1-[3-[4-(4-chlorophenyl)-1-oxophthalazin-2-yl]propyl]piperidin-4-yl]phenyl]acetamide
CID 57394271
N-[3-[1-[3-[4-(2-chlorophenyl)-1-oxophthalazin-2-yl]propyl]piperidin-4-yl]phenyl]acetamide
CID 57401251
N-[3-[1-[3-[4-(3-chlorophenyl)-1-oxophthalazin-2-yl]propyl]piperidin-4-yl]phenyl]acetamide
CID 57402993
4-[(4-phenylpiperazin-1-yl)carbonyl]phthalazin-1(2H)-one
CID 3236275

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-chlorophenyl)piperazine-1-carbonyl]-2H-phthalazin-1-one?
The IUPAC name of 4-[4-(2-chlorophenyl)piperazine-1-carbonyl]-2H-phthalazin-1-one (CID 2097136) is 4-[4-(2-chlorophenyl)piperazine-1-carbonyl]-2H-phthalazin-1-one.
What is the SMILES notation for 4-[4-(2-chlorophenyl)piperazine-1-carbonyl]-2H-phthalazin-1-one?
The canonical SMILES for 4-[4-(2-chlorophenyl)piperazine-1-carbonyl]-2H-phthalazin-1-one is O=C(c1n[nH]c(=O)c2ccccc12)N1CCN(c2ccccc2Cl)CC1.
What is the InChIKey of 4-[4-(2-chlorophenyl)piperazine-1-carbonyl]-2H-phthalazin-1-one?
The InChIKey is IRWNKXJIRFUXFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN4O2/c20-15-7-3-4-8-16(15)23-9-11-24(12-10-23)19(26)17-13-5-1-2-6-14(13)18(25)22-21-17/h1-8H,9-12H2,(H,22,25).
What are the key properties of 4-[4-(2-chlorophenyl)piperazine-1-carbonyl]-2H-phthalazin-1-one?
4-[4-(2-chlorophenyl)piperazine-1-carbonyl]-2H-phthalazin-1-one has a molecular weight of 368.82 g/mol, XLogP of 2.54, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-chlorophenyl)piperazine-1-carbonyl]-2H-phthalazin-1-one is sourced from PubChem (CID 2097136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).