hydroxy-[3-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propylamino]-1,4-dioxonaphthalen-2-yl]azanium

C24H29N4O4+ — CID 143764643

IUPAChydroxy-[3-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propylamino]-1,4-dioxonaphthalen-2-yl]azanium
SMILESCOc1ccccc1N1CCN(CCCNC2=C([NH2+]O)C(=O)c3ccccc3C2=O)CC1
InChIInChI=1S/C24H28N4O4/c1-32-20-10-5-4-9-19(20)28-15-13-27(14-16-28)12-6-11-25-21-22(26-31)24(30)18-8-3-2-7-17(18)23(21)29/h2-5,7-10,25-26,31H,6,11-16H2,1H3/p+1
InChIKeyGDKHMOVHSHOZDN-UHFFFAOYSA-O
MW437.52 g/mol
LogP1.04
Rot. Bonds8

About hydroxy-[3-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propylamino]-1,4-dioxonaphthalen-2-yl]azanium

hydroxy-[3-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propylamino]-1,4-dioxonaphthalen-2-yl]azanium (PubChem CID 143764643) has the molecular formula C24H29N4O4+ and a molecular weight of 437.52 g/mol. Its IUPAC name is hydroxy-[3-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propylamino]-1,4-dioxonaphthalen-2-yl]azanium.

Molecular Properties

Compound Namehydroxy-[3-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propylamino]-1,4-dioxonaphthalen-2-yl]azanium
PubChem CID143764643
Molecular FormulaC24H29N4O4+
Molecular Weight437.52 g/mol
Exact Mass437.22
IUPAC Namehydroxy-[3-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propylamino]-1,4-dioxonaphthalen-2-yl]azanium
SMILESCOc1ccccc1N1CCN(CCCNC2=C([NH2+]O)C(=O)c3ccccc3C2=O)CC1
InChIInChI=1S/C24H28N4O4/c1-32-20-10-5-4-9-19(20)28-15-13-27(14-16-28)12-6-11-25-21-22(26-31)24(30)18-8-3-2-7-17(18)23(21)29/h2-5,7-10,25-26,31H,6,11-16H2,1H3/p+1
InChIKeyGDKHMOVHSHOZDN-UHFFFAOYSA-O
XLogP1.04
TPSA98.72 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.52
LogP ≤ 51.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-9-oxofluorene-4-carboxamide
CID 10874342
1-[3-(dimethylsulfamoylamino)propyl]-4-(2-methoxyphenyl)piperazine
CID 110284680
2-[7-[4-(2-methoxyphenyl)piperazin-1-yl]heptyl]isoindole-1,3-dione
CID 139959232
N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-1,3-thiazol-2-amine
CID 89427881
2-methyl-3-[3-(4-naphthalen-1-ylpiperazin-1-yl)propylamino]naphthalene-1,4-dione
CID 130182218
4-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]benzene-1,2,4-triamine
CID 68626819
2-[2-(2-methoxyphenyl)phenyl]-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]acetamide
CID 72548353
3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-amine
CID 10467259
N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propylsulfamoyl]cyclopentanamine
CID 110624557
ethyl 2-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butylamino]-4,6-dimethylpyrimidine-5-carboxylate
CID 10347539
2-methoxy-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]aniline
CID 22458185
4-[4-(2-methoxyphenyl)piperazin-1-yl]butanenitrile
CID 586071

Frequently Asked Questions

What is the IUPAC name of hydroxy-[3-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propylamino]-1,4-dioxonaphthalen-2-yl]azanium?
The IUPAC name of hydroxy-[3-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propylamino]-1,4-dioxonaphthalen-2-yl]azanium (CID 143764643) is hydroxy-[3-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propylamino]-1,4-dioxonaphthalen-2-yl]azanium.
What is the SMILES notation for hydroxy-[3-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propylamino]-1,4-dioxonaphthalen-2-yl]azanium?
The canonical SMILES for hydroxy-[3-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propylamino]-1,4-dioxonaphthalen-2-yl]azanium is COc1ccccc1N1CCN(CCCNC2=C([NH2+]O)C(=O)c3ccccc3C2=O)CC1.
What is the InChIKey of hydroxy-[3-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propylamino]-1,4-dioxonaphthalen-2-yl]azanium?
The InChIKey is GDKHMOVHSHOZDN-UHFFFAOYSA-O. The full InChI is InChI=1S/C24H28N4O4/c1-32-20-10-5-4-9-19(20)28-15-13-27(14-16-28)12-6-11-25-21-22(26-31)24(30)18-8-3-2-7-17(18)23(21)29/h2-5,7-10,25-26,31H,6,11-16H2,1H3/p+1.
What are the key properties of hydroxy-[3-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propylamino]-1,4-dioxonaphthalen-2-yl]azanium?
hydroxy-[3-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propylamino]-1,4-dioxonaphthalen-2-yl]azanium has a molecular weight of 437.52 g/mol, XLogP of 1.04, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxy-[3-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propylamino]-1,4-dioxonaphthalen-2-yl]azanium is sourced from PubChem (CID 143764643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).