amino-[5,8-dioxo-7-[3-(4-pyridin-2-ylpiperazin-1-yl)propylamino]quinolin-6-yl]-oxoazanium

C21H24N7O3+ — CID 143764670

IUPACamino-[5,8-dioxo-7-[3-(4-pyridin-2-ylpiperazin-1-yl)propylamino]quinolin-6-yl]-oxoazanium
SMILESN[N+](=O)C1=C(NCCCN2CCN(c3ccccn3)CC2)C(=O)c2ncccc2C1=O
InChIInChI=1S/C21H23N7O3/c22-28(31)19-18(21(30)17-15(20(19)29)5-3-8-24-17)25-9-4-10-26-11-13-27(14-12-26)16-6-1-2-7-23-16/h1-3,5-8H,4,9-14H2,(H2-,22,25,29,31)/p+1
InChIKeyKEUYYWXDMNOKHJ-UHFFFAOYSA-O
MW422.47 g/mol
LogP0.52
Rot. Bonds7

About amino-[5,8-dioxo-7-[3-(4-pyridin-2-ylpiperazin-1-yl)propylamino]quinolin-6-yl]-oxoazanium

amino-[5,8-dioxo-7-[3-(4-pyridin-2-ylpiperazin-1-yl)propylamino]quinolin-6-yl]-oxoazanium (PubChem CID 143764670) has the molecular formula C21H24N7O3+ and a molecular weight of 422.47 g/mol. Its IUPAC name is amino-[5,8-dioxo-7-[3-(4-pyridin-2-ylpiperazin-1-yl)propylamino]quinolin-6-yl]-oxoazanium.

Molecular Properties

Compound Nameamino-[5,8-dioxo-7-[3-(4-pyridin-2-ylpiperazin-1-yl)propylamino]quinolin-6-yl]-oxoazanium
PubChem CID143764670
Molecular FormulaC21H24N7O3+
Molecular Weight422.47 g/mol
Exact Mass422.19
IUPAC Nameamino-[5,8-dioxo-7-[3-(4-pyridin-2-ylpiperazin-1-yl)propylamino]quinolin-6-yl]-oxoazanium
SMILESN[N+](=O)C1=C(NCCCN2CCN(c3ccccn3)CC2)C(=O)c2ncccc2C1=O
InChIInChI=1S/C21H23N7O3/c22-28(31)19-18(21(30)17-15(20(19)29)5-3-8-24-17)25-9-4-10-26-11-13-27(14-12-26)16-6-1-2-7-23-16/h1-3,5-8H,4,9-14H2,(H2-,22,25,29,31)/p+1
InChIKeyKEUYYWXDMNOKHJ-UHFFFAOYSA-O
XLogP0.52
TPSA124.53 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.47
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

amino-[5,8-dioxo-7-[3-(4-pyridin-2-ylpiperazin-1-yl)propylazaniumyl]quinolin-6-yl]-oxoazanium
CID 143764669
3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-amine
CID 14854856
4-(4-pyridin-2-ylpiperazin-1-yl)butanamide
CID 68740274
6-amino-7-[3-[4-(4-methoxybenzoyl)piperazin-1-yl]propylamino]quinoline-5,8-dione
CID 143764628
7-(4-pyridin-2-ylpiperazin-1-yl)heptan-1-amine
CID 28598378
N-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]aniline
CID 60860602
2-[3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-3H-1,2-benzothiazin-4-one
CID 57085480
1-(5-chloropentyl)-4-pyridin-2-ylpiperazine
CID 61288750
6-nitroso-7-[3-(4-pyridin-2-ylpiperazin-1-yl)propylamino]quinoline-5,8-diol
CID 143764994
2-(4-pyridin-2-ylpiperazin-1-yl)ethanamine;tetrahydrochloride
CID 23627586
ethyl 6-[4-[3-[(3-amino-1,4-dioxonaphthalen-2-yl)amino]propyl]piperazin-1-yl]pyridine-3-carboxylate
CID 143764592
2,2-dimethyl-5-(4-pyridin-2-ylpiperazin-1-yl)pentanenitrile
CID 65257131

Frequently Asked Questions

What is the IUPAC name of amino-[5,8-dioxo-7-[3-(4-pyridin-2-ylpiperazin-1-yl)propylamino]quinolin-6-yl]-oxoazanium?
The IUPAC name of amino-[5,8-dioxo-7-[3-(4-pyridin-2-ylpiperazin-1-yl)propylamino]quinolin-6-yl]-oxoazanium (CID 143764670) is amino-[5,8-dioxo-7-[3-(4-pyridin-2-ylpiperazin-1-yl)propylamino]quinolin-6-yl]-oxoazanium.
What is the SMILES notation for amino-[5,8-dioxo-7-[3-(4-pyridin-2-ylpiperazin-1-yl)propylamino]quinolin-6-yl]-oxoazanium?
The canonical SMILES for amino-[5,8-dioxo-7-[3-(4-pyridin-2-ylpiperazin-1-yl)propylamino]quinolin-6-yl]-oxoazanium is N[N+](=O)C1=C(NCCCN2CCN(c3ccccn3)CC2)C(=O)c2ncccc2C1=O.
What is the InChIKey of amino-[5,8-dioxo-7-[3-(4-pyridin-2-ylpiperazin-1-yl)propylamino]quinolin-6-yl]-oxoazanium?
The InChIKey is KEUYYWXDMNOKHJ-UHFFFAOYSA-O. The full InChI is InChI=1S/C21H23N7O3/c22-28(31)19-18(21(30)17-15(20(19)29)5-3-8-24-17)25-9-4-10-26-11-13-27(14-12-26)16-6-1-2-7-23-16/h1-3,5-8H,4,9-14H2,(H2-,22,25,29,31)/p+1.
What are the key properties of amino-[5,8-dioxo-7-[3-(4-pyridin-2-ylpiperazin-1-yl)propylamino]quinolin-6-yl]-oxoazanium?
amino-[5,8-dioxo-7-[3-(4-pyridin-2-ylpiperazin-1-yl)propylamino]quinolin-6-yl]-oxoazanium has a molecular weight of 422.47 g/mol, XLogP of 0.52, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for amino-[5,8-dioxo-7-[3-(4-pyridin-2-ylpiperazin-1-yl)propylamino]quinolin-6-yl]-oxoazanium is sourced from PubChem (CID 143764670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).