6-nitroso-7-[3-(4-pyridin-2-ylpiperazin-1-yl)propylamino]quinoline-5,8-diol

C21H24N6O3 — CID 143764994

IUPAC6-nitroso-7-[3-(4-pyridin-2-ylpiperazin-1-yl)propylamino]quinoline-5,8-diol
SMILESO=Nc1c(NCCCN2CCN(c3ccccn3)CC2)c(O)c2ncccc2c1O
InChIInChI=1S/C21H24N6O3/c28-20-15-5-3-8-23-17(15)21(29)18(19(20)25-30)24-9-4-10-26-11-13-27(14-12-26)16-6-1-2-7-22-16/h1-3,5-8,24,28-29H,4,9-14H2
InChIKeyYMBNEOVAXBNXLV-UHFFFAOYSA-N
MW408.46 g/mol
LogP3.06
Rot. Bonds7

About 6-nitroso-7-[3-(4-pyridin-2-ylpiperazin-1-yl)propylamino]quinoline-5,8-diol

6-nitroso-7-[3-(4-pyridin-2-ylpiperazin-1-yl)propylamino]quinoline-5,8-diol (PubChem CID 143764994) has the molecular formula C21H24N6O3 and a molecular weight of 408.46 g/mol. Its IUPAC name is 6-nitroso-7-[3-(4-pyridin-2-ylpiperazin-1-yl)propylamino]quinoline-5,8-diol.

Molecular Properties

Compound Name6-nitroso-7-[3-(4-pyridin-2-ylpiperazin-1-yl)propylamino]quinoline-5,8-diol
PubChem CID143764994
Molecular FormulaC21H24N6O3
Molecular Weight408.46 g/mol
Exact Mass408.19
IUPAC Name6-nitroso-7-[3-(4-pyridin-2-ylpiperazin-1-yl)propylamino]quinoline-5,8-diol
SMILESO=Nc1c(NCCCN2CCN(c3ccccn3)CC2)c(O)c2ncccc2c1O
InChIInChI=1S/C21H24N6O3/c28-20-15-5-3-8-23-17(15)21(29)18(19(20)25-30)24-9-4-10-26-11-13-27(14-12-26)16-6-1-2-7-22-16/h1-3,5-8,24,28-29H,4,9-14H2
InChIKeyYMBNEOVAXBNXLV-UHFFFAOYSA-N
XLogP3.06
TPSA114.18 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.46
LogP ≤ 53.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

4-[4-(4-pyridin-2-ylpiperazin-1-yl)butyl]quinoline
CID 19909649
4-(4-pyridin-2-ylpiperazin-1-yl)butanamide
CID 68740274
3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-amine
CID 14854856
1-(2-bromoethyl)-4-pyridin-2-ylpiperazine
CID 61288555
N-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]aniline
CID 60860602
1-(5-chloropentyl)-4-pyridin-2-ylpiperazine
CID 61288750
4-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]morpholine
CID 13345110
1-(3-nitroso-3-phenylpropyl)-4-pyridin-2-ylpiperazine
CID 91224251
7-(4-pyridin-2-ylpiperazin-1-yl)heptan-1-amine
CID 28598378
1-(2-hydroxyphenyl)-6-(4-pyridin-2-ylpiperazin-1-yl)hexan-1-one
CID 11131952
amino-[5,8-dioxo-7-[3-(4-pyridin-2-ylpiperazin-1-yl)propylamino]quinolin-6-yl]-oxoazanium
CID 143764670
N-(3-piperazin-1-ylpropyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide;dihydrochloride
CID 119393580

Frequently Asked Questions

What is the IUPAC name of 6-nitroso-7-[3-(4-pyridin-2-ylpiperazin-1-yl)propylamino]quinoline-5,8-diol?
The IUPAC name of 6-nitroso-7-[3-(4-pyridin-2-ylpiperazin-1-yl)propylamino]quinoline-5,8-diol (CID 143764994) is 6-nitroso-7-[3-(4-pyridin-2-ylpiperazin-1-yl)propylamino]quinoline-5,8-diol.
What is the SMILES notation for 6-nitroso-7-[3-(4-pyridin-2-ylpiperazin-1-yl)propylamino]quinoline-5,8-diol?
The canonical SMILES for 6-nitroso-7-[3-(4-pyridin-2-ylpiperazin-1-yl)propylamino]quinoline-5,8-diol is O=Nc1c(NCCCN2CCN(c3ccccn3)CC2)c(O)c2ncccc2c1O.
What is the InChIKey of 6-nitroso-7-[3-(4-pyridin-2-ylpiperazin-1-yl)propylamino]quinoline-5,8-diol?
The InChIKey is YMBNEOVAXBNXLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6O3/c28-20-15-5-3-8-23-17(15)21(29)18(19(20)25-30)24-9-4-10-26-11-13-27(14-12-26)16-6-1-2-7-22-16/h1-3,5-8,24,28-29H,4,9-14H2.
What are the key properties of 6-nitroso-7-[3-(4-pyridin-2-ylpiperazin-1-yl)propylamino]quinoline-5,8-diol?
6-nitroso-7-[3-(4-pyridin-2-ylpiperazin-1-yl)propylamino]quinoline-5,8-diol has a molecular weight of 408.46 g/mol, XLogP of 3.06, 7 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-nitroso-7-[3-(4-pyridin-2-ylpiperazin-1-yl)propylamino]quinoline-5,8-diol is sourced from PubChem (CID 143764994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).