6-nitro-2-(2-piperidin-2-ylethoxy)quinoxaline;hydrochloride

C15H19ClN4O3 — CID 71635812

IUPAC6-nitro-2-(2-piperidin-2-ylethoxy)quinoxaline;hydrochloride
SMILESCl.O=[N+]([O-])c1ccc2nc(OCCC3CCCCN3)cnc2c1
InChIInChI=1S/C15H18N4O3.ClH/c20-19(21)12-4-5-13-14(9-12)17-10-15(18-13)22-8-6-11-3-1-2-7-16-11;/h4-5,9-11,16H,1-3,6-8H2;1H
InChIKeyXORJXASESQOOIK-UHFFFAOYSA-N
MW338.80 g/mol
LogP2.87
Rot. Bonds5

About 6-nitro-2-(2-piperidin-2-ylethoxy)quinoxaline;hydrochloride

6-nitro-2-(2-piperidin-2-ylethoxy)quinoxaline;hydrochloride (PubChem CID 71635812) has the molecular formula C15H19ClN4O3 and a molecular weight of 338.80 g/mol. Its IUPAC name is 6-nitro-2-(2-piperidin-2-ylethoxy)quinoxaline;hydrochloride.

Molecular Properties

Compound Name6-nitro-2-(2-piperidin-2-ylethoxy)quinoxaline;hydrochloride
PubChem CID71635812
Molecular FormulaC15H19ClN4O3
Molecular Weight338.80 g/mol
Exact Mass338.11
IUPAC Name6-nitro-2-(2-piperidin-2-ylethoxy)quinoxaline;hydrochloride
SMILESCl.O=[N+]([O-])c1ccc2nc(OCCC3CCCCN3)cnc2c1
InChIInChI=1S/C15H18N4O3.ClH/c20-19(21)12-4-5-13-14(9-12)17-10-15(18-13)22-8-6-11-3-1-2-7-16-11;/h4-5,9-11,16H,1-3,6-8H2;1H
InChIKeyXORJXASESQOOIK-UHFFFAOYSA-N
XLogP2.87
TPSA90.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.80
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

6-nitro-2-[2-[(3S)-piperidin-3-yl]ethoxy]quinoxaline
CID 97177904
2-(2-piperidin-2-ylethoxy)quinoxaline
CID 62359871
5-nitro-2-(2-piperidin-2-ylethoxy)-1,3-benzoxazole;hydrochloride
CID 71635936
6-nitro-N-[[(2S)-piperidin-2-yl]methyl]quinoxalin-2-amine
CID 97177886
6-nitro-N-(pyrrolidin-2-ylmethyl)quinoxalin-2-amine;hydrochloride
CID 71635780
2-[2-(3-nitrophenoxy)ethyl]piperidine;hydrochloride
CID 56830416
2-[2-(2-chloro-5-nitrophenoxy)ethyl]piperidine
CID 63991171
6-nitro-2-[(R)-[(2R)-pyrrolidin-2-yl]methylsulfinyl]quinoxaline
CID 97178131
N-methyl-6-nitro-N-[[(2R)-pyrrolidin-2-yl]methyl]quinoxalin-2-amine
CID 97164338
2-[2-[(3-nitrophenyl)methoxy]ethyl]piperidine
CID 62342977
6-nitro-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]-1H-benzimidazol-2-amine
CID 104973003
5-nitro-2-(piperidin-2-ylmethylsulfanyl)-1,3-benzothiazole
CID 71636190

Frequently Asked Questions

What is the IUPAC name of 6-nitro-2-(2-piperidin-2-ylethoxy)quinoxaline;hydrochloride?
The IUPAC name of 6-nitro-2-(2-piperidin-2-ylethoxy)quinoxaline;hydrochloride (CID 71635812) is 6-nitro-2-(2-piperidin-2-ylethoxy)quinoxaline;hydrochloride.
What is the SMILES notation for 6-nitro-2-(2-piperidin-2-ylethoxy)quinoxaline;hydrochloride?
The canonical SMILES for 6-nitro-2-(2-piperidin-2-ylethoxy)quinoxaline;hydrochloride is Cl.O=[N+]([O-])c1ccc2nc(OCCC3CCCCN3)cnc2c1.
What is the InChIKey of 6-nitro-2-(2-piperidin-2-ylethoxy)quinoxaline;hydrochloride?
The InChIKey is XORJXASESQOOIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O3.ClH/c20-19(21)12-4-5-13-14(9-12)17-10-15(18-13)22-8-6-11-3-1-2-7-16-11;/h4-5,9-11,16H,1-3,6-8H2;1H.
What are the key properties of 6-nitro-2-(2-piperidin-2-ylethoxy)quinoxaline;hydrochloride?
6-nitro-2-(2-piperidin-2-ylethoxy)quinoxaline;hydrochloride has a molecular weight of 338.80 g/mol, XLogP of 2.87, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-nitro-2-(2-piperidin-2-ylethoxy)quinoxaline;hydrochloride is sourced from PubChem (CID 71635812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).