4-[4-(2-chlorophenyl)piperazin-1-yl]-N-(oxolan-2-ylmethyl)phthalazine-1-carboxamide

C24H26ClN5O2 — CID 42690864

IUPAC4-[4-(2-chlorophenyl)piperazin-1-yl]-N-(oxolan-2-ylmethyl)phthalazine-1-carboxamide
SMILESO=C(NCC1CCCO1)c1nnc(N2CCN(c3ccccc3Cl)CC2)c2ccccc12
InChIInChI=1S/C24H26ClN5O2/c25-20-9-3-4-10-21(20)29-11-13-30(14-12-29)23-19-8-2-1-7-18(19)22(27-28-23)24(31)26-16-17-6-5-15-32-17/h1-4,7-10,17H,5-6,11-16H2,(H,26,31)
InChIKeyRHDYGONJDMVRFU-UHFFFAOYSA-N
MW451.96 g/mol
LogP3.52
Rot. Bonds5

About 4-[4-(2-chlorophenyl)piperazin-1-yl]-N-(oxolan-2-ylmethyl)phthalazine-1-carboxamide

4-[4-(2-chlorophenyl)piperazin-1-yl]-N-(oxolan-2-ylmethyl)phthalazine-1-carboxamide (PubChem CID 42690864) has the molecular formula C24H26ClN5O2 and a molecular weight of 451.96 g/mol. Its IUPAC name is 4-[4-(2-chlorophenyl)piperazin-1-yl]-N-(oxolan-2-ylmethyl)phthalazine-1-carboxamide.

Molecular Properties

Compound Name4-[4-(2-chlorophenyl)piperazin-1-yl]-N-(oxolan-2-ylmethyl)phthalazine-1-carboxamide
PubChem CID42690864
Molecular FormulaC24H26ClN5O2
Molecular Weight451.96 g/mol
Exact Mass451.18
IUPAC Name4-[4-(2-chlorophenyl)piperazin-1-yl]-N-(oxolan-2-ylmethyl)phthalazine-1-carboxamide
SMILESO=C(NCC1CCCO1)c1nnc(N2CCN(c3ccccc3Cl)CC2)c2ccccc12
InChIInChI=1S/C24H26ClN5O2/c25-20-9-3-4-10-21(20)29-11-13-30(14-12-29)23-19-8-2-1-7-18(19)22(27-28-23)24(31)26-16-17-6-5-15-32-17/h1-4,7-10,17H,5-6,11-16H2,(H,26,31)
InChIKeyRHDYGONJDMVRFU-UHFFFAOYSA-N
XLogP3.52
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.96
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-benzyl-4-[4-(2-chlorophenyl)piperazin-1-yl]phthalazine-1-carboxamide
CID 42690841
4-[4-(2-chlorophenyl)piperazin-1-yl]-N-(3-methylbutyl)phthalazine-1-carboxamide
CID 42690854
2-chloro-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 668841
[4-[4-(2-chlorophenyl)piperazin-1-yl]phthalazin-1-yl]-pyrrolidin-1-ylmethanone
CID 42878282
1-[4-(2-chlorophenyl)piperazin-1-yl]-2-(oxolan-2-ylmethylamino)ethanone;dihydrochloride
CID 119827710
2-(azepan-1-yl)-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
CID 3192331
N-(oxolan-2-ylmethyl)-2-piperidin-1-ylpyridine-3-carboxamide
CID 3192318
5-amino-1-(2-methylphenyl)-N-[[(2S)-oxolan-2-yl]methyl]triazole-4-carboxamide
CID 7442535
1-(2-chlorophenyl)-N-(oxolan-2-ylmethyl)-5-propan-2-ylpyrazole-4-carboxamide
CID 156601815
5-amino-1-(2-ethylphenyl)-N-[[(2R)-oxolan-2-yl]methyl]triazole-4-carboxamide
CID 7442589
5-(4-benzylpiperazin-1-yl)-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
CID 109228768
1-chloro-N-(oxolan-2-ylmethyl)isoquinoline-4-carboxamide
CID 106765879

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-chlorophenyl)piperazin-1-yl]-N-(oxolan-2-ylmethyl)phthalazine-1-carboxamide?
The IUPAC name of 4-[4-(2-chlorophenyl)piperazin-1-yl]-N-(oxolan-2-ylmethyl)phthalazine-1-carboxamide (CID 42690864) is 4-[4-(2-chlorophenyl)piperazin-1-yl]-N-(oxolan-2-ylmethyl)phthalazine-1-carboxamide.
What is the SMILES notation for 4-[4-(2-chlorophenyl)piperazin-1-yl]-N-(oxolan-2-ylmethyl)phthalazine-1-carboxamide?
The canonical SMILES for 4-[4-(2-chlorophenyl)piperazin-1-yl]-N-(oxolan-2-ylmethyl)phthalazine-1-carboxamide is O=C(NCC1CCCO1)c1nnc(N2CCN(c3ccccc3Cl)CC2)c2ccccc12.
What is the InChIKey of 4-[4-(2-chlorophenyl)piperazin-1-yl]-N-(oxolan-2-ylmethyl)phthalazine-1-carboxamide?
The InChIKey is RHDYGONJDMVRFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26ClN5O2/c25-20-9-3-4-10-21(20)29-11-13-30(14-12-29)23-19-8-2-1-7-18(19)22(27-28-23)24(31)26-16-17-6-5-15-32-17/h1-4,7-10,17H,5-6,11-16H2,(H,26,31).
What are the key properties of 4-[4-(2-chlorophenyl)piperazin-1-yl]-N-(oxolan-2-ylmethyl)phthalazine-1-carboxamide?
4-[4-(2-chlorophenyl)piperazin-1-yl]-N-(oxolan-2-ylmethyl)phthalazine-1-carboxamide has a molecular weight of 451.96 g/mol, XLogP of 3.52, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-chlorophenyl)piperazin-1-yl]-N-(oxolan-2-ylmethyl)phthalazine-1-carboxamide is sourced from PubChem (CID 42690864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).