4-[4-(3-methoxyphenyl)piperazin-1-yl]-N-morpholin-4-ylphthalazine-1-carboxamide

C24H28N6O3 — CID 42691125

IUPAC4-[4-(3-methoxyphenyl)piperazin-1-yl]-N-morpholin-4-ylphthalazine-1-carboxamide
SMILESCOc1cccc(N2CCN(c3nnc(C(=O)NN4CCOCC4)c4ccccc34)CC2)c1
InChIInChI=1S/C24H28N6O3/c1-32-19-6-4-5-18(17-19)28-9-11-29(12-10-28)23-21-8-3-2-7-20(21)22(25-26-23)24(31)27-30-13-15-33-16-14-30/h2-8,17H,9-16H2,1H3,(H,27,31)
InChIKeyPMGSAFYXEKFJDU-UHFFFAOYSA-N
MW448.53 g/mol
LogP1.94
Rot. Bonds5

About 4-[4-(3-methoxyphenyl)piperazin-1-yl]-N-morpholin-4-ylphthalazine-1-carboxamide

4-[4-(3-methoxyphenyl)piperazin-1-yl]-N-morpholin-4-ylphthalazine-1-carboxamide (PubChem CID 42691125) has the molecular formula C24H28N6O3 and a molecular weight of 448.53 g/mol. Its IUPAC name is 4-[4-(3-methoxyphenyl)piperazin-1-yl]-N-morpholin-4-ylphthalazine-1-carboxamide.

Molecular Properties

Compound Name4-[4-(3-methoxyphenyl)piperazin-1-yl]-N-morpholin-4-ylphthalazine-1-carboxamide
PubChem CID42691125
Molecular FormulaC24H28N6O3
Molecular Weight448.53 g/mol
Exact Mass448.22
IUPAC Name4-[4-(3-methoxyphenyl)piperazin-1-yl]-N-morpholin-4-ylphthalazine-1-carboxamide
SMILESCOc1cccc(N2CCN(c3nnc(C(=O)NN4CCOCC4)c4ccccc34)CC2)c1
InChIInChI=1S/C24H28N6O3/c1-32-19-6-4-5-18(17-19)28-9-11-29(12-10-28)23-21-8-3-2-7-20(21)22(25-26-23)24(31)27-30-13-15-33-16-14-30/h2-8,17H,9-16H2,1H3,(H,27,31)
InChIKeyPMGSAFYXEKFJDU-UHFFFAOYSA-N
XLogP1.94
TPSA83.06 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.53
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

[4-[4-(3-methoxyphenyl)piperazin-1-yl]phthalazin-1-yl]-pyrrolidin-1-ylmethanone
CID 42691115
[4-[4-(3-methoxyphenyl)piperazin-1-yl]phthalazin-1-yl]-(4-methylpiperazin-1-yl)methanone
CID 42691138
4-[4-(3-methoxyphenyl)piperazin-1-yl]-N-[2-[(2R)-1-methylpyrrolidin-2-yl]ethyl]phthalazine-1-carboxamide
CID 93009657
N-[(3-fluorophenyl)methyl]-4-[4-(4-methoxyphenyl)piperazin-1-yl]phthalazine-1-carboxamide
CID 42690905
4-[4-(3,4-dichlorophenyl)piperazin-1-yl]-N-(4-methoxyphenyl)phthalazine-1-carboxamide
CID 42878384
N-[2-(dimethylamino)ethyl]-4-[4-(4-methoxyphenyl)piperazin-1-yl]phthalazine-1-carboxamide
CID 42690891
4-[4-(2-fluorophenyl)piperazin-1-yl]-N-(3-methoxyphenyl)phthalazine-1-carboxamide
CID 42690680
1-(3-methoxyphenyl)-5-methyl-N-(3-morpholin-4-ylphenyl)triazole-4-carboxamide
CID 55952566
ethyl 4-morpholin-4-ylphthalazine-1-carboxylate
CID 42878220
[1-(3-methoxyphenyl)piperidin-4-yl]-morpholin-4-ylmethanone
CID 11573068
methyl 4-(4-methylpiperazin-1-yl)phthalazine-1-carboxylate
CID 6418780
2-amino-5-methoxy-N-morpholin-4-ylbenzamide
CID 83012888

Frequently Asked Questions

What is the IUPAC name of 4-[4-(3-methoxyphenyl)piperazin-1-yl]-N-morpholin-4-ylphthalazine-1-carboxamide?
The IUPAC name of 4-[4-(3-methoxyphenyl)piperazin-1-yl]-N-morpholin-4-ylphthalazine-1-carboxamide (CID 42691125) is 4-[4-(3-methoxyphenyl)piperazin-1-yl]-N-morpholin-4-ylphthalazine-1-carboxamide.
What is the SMILES notation for 4-[4-(3-methoxyphenyl)piperazin-1-yl]-N-morpholin-4-ylphthalazine-1-carboxamide?
The canonical SMILES for 4-[4-(3-methoxyphenyl)piperazin-1-yl]-N-morpholin-4-ylphthalazine-1-carboxamide is COc1cccc(N2CCN(c3nnc(C(=O)NN4CCOCC4)c4ccccc34)CC2)c1.
What is the InChIKey of 4-[4-(3-methoxyphenyl)piperazin-1-yl]-N-morpholin-4-ylphthalazine-1-carboxamide?
The InChIKey is PMGSAFYXEKFJDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N6O3/c1-32-19-6-4-5-18(17-19)28-9-11-29(12-10-28)23-21-8-3-2-7-20(21)22(25-26-23)24(31)27-30-13-15-33-16-14-30/h2-8,17H,9-16H2,1H3,(H,27,31).
What are the key properties of 4-[4-(3-methoxyphenyl)piperazin-1-yl]-N-morpholin-4-ylphthalazine-1-carboxamide?
4-[4-(3-methoxyphenyl)piperazin-1-yl]-N-morpholin-4-ylphthalazine-1-carboxamide has a molecular weight of 448.53 g/mol, XLogP of 1.94, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(3-methoxyphenyl)piperazin-1-yl]-N-morpholin-4-ylphthalazine-1-carboxamide is sourced from PubChem (CID 42691125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).