N-[2-(dimethylamino)ethyl]-4-[4-(4-methoxyphenyl)piperazin-1-yl]phthalazine-1-carboxamide

C24H30N6O2 — CID 42690891

IUPACN-[2-(dimethylamino)ethyl]-4-[4-(4-methoxyphenyl)piperazin-1-yl]phthalazine-1-carboxamide
SMILESCOc1ccc(N2CCN(c3nnc(C(=O)NCCN(C)C)c4ccccc34)CC2)cc1
InChIInChI=1S/C24H30N6O2/c1-28(2)13-12-25-24(31)22-20-6-4-5-7-21(20)23(27-26-22)30-16-14-29(15-17-30)18-8-10-19(32-3)11-9-18/h4-11H,12-17H2,1-3H3,(H,25,31)
InChIKeyWBFAODYTGALFAO-UHFFFAOYSA-N
MW434.54 g/mol
LogP2.26
Rot. Bonds7

About N-[2-(dimethylamino)ethyl]-4-[4-(4-methoxyphenyl)piperazin-1-yl]phthalazine-1-carboxamide

N-[2-(dimethylamino)ethyl]-4-[4-(4-methoxyphenyl)piperazin-1-yl]phthalazine-1-carboxamide (PubChem CID 42690891) has the molecular formula C24H30N6O2 and a molecular weight of 434.54 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-4-[4-(4-methoxyphenyl)piperazin-1-yl]phthalazine-1-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-4-[4-(4-methoxyphenyl)piperazin-1-yl]phthalazine-1-carboxamide
PubChem CID42690891
Molecular FormulaC24H30N6O2
Molecular Weight434.54 g/mol
Exact Mass434.24
IUPAC NameN-[2-(dimethylamino)ethyl]-4-[4-(4-methoxyphenyl)piperazin-1-yl]phthalazine-1-carboxamide
SMILESCOc1ccc(N2CCN(c3nnc(C(=O)NCCN(C)C)c4ccccc34)CC2)cc1
InChIInChI=1S/C24H30N6O2/c1-28(2)13-12-25-24(31)22-20-6-4-5-7-21(20)23(27-26-22)30-16-14-29(15-17-30)18-8-10-19(32-3)11-9-18/h4-11H,12-17H2,1-3H3,(H,25,31)
InChIKeyWBFAODYTGALFAO-UHFFFAOYSA-N
XLogP2.26
TPSA73.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.54
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

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]methyl]benzamide
CID 42858719
4-[4-(3-methoxyphenyl)piperazin-1-yl]-N-[2-[(2R)-1-methylpyrrolidin-2-yl]ethyl]phthalazine-1-carboxamide
CID 93009657
N-[2-(dimethylamino)ethyl]-3-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]benzamide
CID 46055599
4-[4-(2-chlorophenyl)piperazin-1-yl]-N-(2-methoxyethyl)phthalazine-1-carboxamide
CID 42690850
4-[4-(3-methoxyphenyl)piperazin-1-yl]-N-morpholin-4-ylphthalazine-1-carboxamide
CID 42691125
N-[(2-fluorophenyl)methyl]-4-[4-(4-fluorophenyl)piperazin-1-yl]phthalazine-1-carboxamide
CID 42691065
N-[2-(dimethylamino)ethyl]-N'-[1-[4-(4-methoxyphenyl)piperazin-1-yl]-1-thiophen-2-ylpropan-2-yl]oxamide
CID 20866486
N-[3-(dimethylamino)propyl]-3-[4-(4-methoxyphenyl)piperazin-1-yl]-3-oxopropanamide
CID 108944211
N-[2-(dimethylamino)ethyl]-1-(4-pyridin-2-ylpiperazin-1-yl)isoquinoline-4-carboxamide
CID 126476974
[4-[4-(3-methoxyphenyl)piperazin-1-yl]phthalazin-1-yl]-pyrrolidin-1-ylmethanone
CID 42691115

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-4-[4-(4-methoxyphenyl)piperazin-1-yl]phthalazine-1-carboxamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-4-[4-(4-methoxyphenyl)piperazin-1-yl]phthalazine-1-carboxamide (CID 42690891) is N-[2-(dimethylamino)ethyl]-4-[4-(4-methoxyphenyl)piperazin-1-yl]phthalazine-1-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-4-[4-(4-methoxyphenyl)piperazin-1-yl]phthalazine-1-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-4-[4-(4-methoxyphenyl)piperazin-1-yl]phthalazine-1-carboxamide is COc1ccc(N2CCN(c3nnc(C(=O)NCCN(C)C)c4ccccc34)CC2)cc1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-4-[4-(4-methoxyphenyl)piperazin-1-yl]phthalazine-1-carboxamide?
The InChIKey is WBFAODYTGALFAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N6O2/c1-28(2)13-12-25-24(31)22-20-6-4-5-7-21(20)23(27-26-22)30-16-14-29(15-17-30)18-8-10-19(32-3)11-9-18/h4-11H,12-17H2,1-3H3,(H,25,31).
What are the key properties of N-[2-(dimethylamino)ethyl]-4-[4-(4-methoxyphenyl)piperazin-1-yl]phthalazine-1-carboxamide?
N-[2-(dimethylamino)ethyl]-4-[4-(4-methoxyphenyl)piperazin-1-yl]phthalazine-1-carboxamide has a molecular weight of 434.54 g/mol, XLogP of 2.26, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-4-[4-(4-methoxyphenyl)piperazin-1-yl]phthalazine-1-carboxamide is sourced from PubChem (CID 42690891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).