[4-[4-(2-chlorophenyl)piperazin-1-yl]phthalazin-1-yl]-pyrrolidin-1-ylmethanone

C23H24ClN5O — CID 42878282

IUPAC[4-[4-(2-chlorophenyl)piperazin-1-yl]phthalazin-1-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(c1nnc(N2CCN(c3ccccc3Cl)CC2)c2ccccc12)N1CCCC1
InChIInChI=1S/C23H24ClN5O/c24-19-9-3-4-10-20(19)27-13-15-28(16-14-27)22-18-8-2-1-7-17(18)21(25-26-22)23(30)29-11-5-6-12-29/h1-4,7-10H,5-6,11-16H2
InChIKeyIDPVQHXDQNXUSZ-UHFFFAOYSA-N
MW421.93 g/mol
LogP3.85
Rot. Bonds3

About [4-[4-(2-chlorophenyl)piperazin-1-yl]phthalazin-1-yl]-pyrrolidin-1-ylmethanone

[4-[4-(2-chlorophenyl)piperazin-1-yl]phthalazin-1-yl]-pyrrolidin-1-ylmethanone (PubChem CID 42878282) has the molecular formula C23H24ClN5O and a molecular weight of 421.93 g/mol. Its IUPAC name is [4-[4-(2-chlorophenyl)piperazin-1-yl]phthalazin-1-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[4-[4-(2-chlorophenyl)piperazin-1-yl]phthalazin-1-yl]-pyrrolidin-1-ylmethanone
PubChem CID42878282
Molecular FormulaC23H24ClN5O
Molecular Weight421.93 g/mol
Exact Mass421.17
IUPAC Name[4-[4-(2-chlorophenyl)piperazin-1-yl]phthalazin-1-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(c1nnc(N2CCN(c3ccccc3Cl)CC2)c2ccccc12)N1CCCC1
InChIInChI=1S/C23H24ClN5O/c24-19-9-3-4-10-20(19)27-13-15-28(16-14-27)22-18-8-2-1-7-17(18)21(25-26-22)23(30)29-11-5-6-12-29/h1-4,7-10H,5-6,11-16H2
InChIKeyIDPVQHXDQNXUSZ-UHFFFAOYSA-N
XLogP3.85
TPSA52.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.93
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(4-methylpiperazin-1-yl)phthalazin-1-yl]-pyrrolidin-1-ylmethanone
CID 42690942
N-benzyl-4-[4-(2-chlorophenyl)piperazin-1-yl]phthalazine-1-carboxamide
CID 42690841
[4-[4-(3,4-dichlorophenyl)piperazin-1-yl]phthalazin-1-yl]-(4-phenylpiperazin-1-yl)methanone
CID 42878392
4-[4-(2-chlorophenyl)piperazin-1-yl]-N-(2-methoxyethyl)phthalazine-1-carboxamide
CID 42690850
[4-[4-(3-methoxyphenyl)piperazin-1-yl]phthalazin-1-yl]-pyrrolidin-1-ylmethanone
CID 42691115
4-[4-(2-chlorophenyl)piperazin-1-yl]-N-(3-methylbutyl)phthalazine-1-carboxamide
CID 42690854
4-[4-(2-chlorophenyl)piperazin-1-yl]-N-(oxolan-2-ylmethyl)phthalazine-1-carboxamide
CID 42690864
[4-[4-(4-fluorophenyl)piperazin-1-yl]phthalazin-1-yl]-(4-phenylpiperazin-1-yl)methanone
CID 42691070
[4-[4-(2-chlorophenyl)phthalazin-1-yl]piperazin-1-yl]-phenylmethanone
CID 46891105
2-(4-chlorophenyl)-4-[4-(2-chlorophenyl)piperazine-1-carbonyl]phthalazin-1-one
CID 15915779
morpholin-4-yl-[4-(4-propan-2-ylpiperazin-1-yl)phthalazin-1-yl]methanone
CID 42690972
(2-chlorophenyl)-[4-(4-phenylphthalazin-1-yl)piperazin-1-yl]methanone
CID 6407348

Frequently Asked Questions

What is the IUPAC name of [4-[4-(2-chlorophenyl)piperazin-1-yl]phthalazin-1-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [4-[4-(2-chlorophenyl)piperazin-1-yl]phthalazin-1-yl]-pyrrolidin-1-ylmethanone (CID 42878282) is [4-[4-(2-chlorophenyl)piperazin-1-yl]phthalazin-1-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [4-[4-(2-chlorophenyl)piperazin-1-yl]phthalazin-1-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [4-[4-(2-chlorophenyl)piperazin-1-yl]phthalazin-1-yl]-pyrrolidin-1-ylmethanone is O=C(c1nnc(N2CCN(c3ccccc3Cl)CC2)c2ccccc12)N1CCCC1.
What is the InChIKey of [4-[4-(2-chlorophenyl)piperazin-1-yl]phthalazin-1-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is IDPVQHXDQNXUSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClN5O/c24-19-9-3-4-10-20(19)27-13-15-28(16-14-27)22-18-8-2-1-7-17(18)21(25-26-22)23(30)29-11-5-6-12-29/h1-4,7-10H,5-6,11-16H2.
What are the key properties of [4-[4-(2-chlorophenyl)piperazin-1-yl]phthalazin-1-yl]-pyrrolidin-1-ylmethanone?
[4-[4-(2-chlorophenyl)piperazin-1-yl]phthalazin-1-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 421.93 g/mol, XLogP of 3.85, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-(2-chlorophenyl)piperazin-1-yl]phthalazin-1-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 42878282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).