6-nitro-N-(pyrrolidin-2-ylmethyl)quinoxalin-2-amine;hydrochloride

C13H16ClN5O2 — CID 71635780

IUPAC6-nitro-N-(pyrrolidin-2-ylmethyl)quinoxalin-2-amine;hydrochloride
SMILESCl.O=[N+]([O-])c1ccc2nc(NCC3CCCN3)cnc2c1
InChIInChI=1S/C13H15N5O2.ClH/c19-18(20)10-3-4-11-12(6-10)15-8-13(17-11)16-7-9-2-1-5-14-9;/h3-4,6,8-9,14H,1-2,5,7H2,(H,16,17);1H
InChIKeyIBYNAIZPJIZAOP-UHFFFAOYSA-N
MW309.76 g/mol
LogP2.12
Rot. Bonds4

About 6-nitro-N-(pyrrolidin-2-ylmethyl)quinoxalin-2-amine;hydrochloride

6-nitro-N-(pyrrolidin-2-ylmethyl)quinoxalin-2-amine;hydrochloride (PubChem CID 71635780) has the molecular formula C13H16ClN5O2 and a molecular weight of 309.76 g/mol. Its IUPAC name is 6-nitro-N-(pyrrolidin-2-ylmethyl)quinoxalin-2-amine;hydrochloride.

Molecular Properties

Compound Name6-nitro-N-(pyrrolidin-2-ylmethyl)quinoxalin-2-amine;hydrochloride
PubChem CID71635780
Molecular FormulaC13H16ClN5O2
Molecular Weight309.76 g/mol
Exact Mass309.10
IUPAC Name6-nitro-N-(pyrrolidin-2-ylmethyl)quinoxalin-2-amine;hydrochloride
SMILESCl.O=[N+]([O-])c1ccc2nc(NCC3CCCN3)cnc2c1
InChIInChI=1S/C13H15N5O2.ClH/c19-18(20)10-3-4-11-12(6-10)15-8-13(17-11)16-7-9-2-1-5-14-9;/h3-4,6,8-9,14H,1-2,5,7H2,(H,16,17);1H
InChIKeyIBYNAIZPJIZAOP-UHFFFAOYSA-N
XLogP2.12
TPSA92.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.76
LogP ≤ 52.12
H-Bond Donors ≤ 52
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-N-[[(2S)-piperidin-2-yl]methyl]quinoxalin-2-amine
CID 97177886
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
6-nitro-2-(2-piperidin-2-ylethoxy)quinoxaline;hydrochloride
CID 71635812
N-[[(2S)-piperidin-2-yl]methyl]quinoxalin-2-amine
CID 94416055
6-nitro-N-[(3S)-pyrrolidin-3-yl]quinoxalin-2-amine;hydrochloride
CID 71635770
5-nitro-2-[[(2R)-pyrrolidin-2-yl]methoxy]-1,3-benzoxazole
CID 97177921
6-nitro-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]-1H-benzimidazol-2-amine
CID 104973003
tert-butyl (3S)-3-[[(6-nitroquinoxalin-2-yl)amino]methyl]piperidine-1-carboxylate
CID 97172273
tert-butyl (3S)-3-[[(6-nitroquinoxalin-2-yl)amino]methyl]pyrrolidine-1-carboxylate
CID 97171211
5-nitro-2-(pyrrolidin-2-ylmethylsulfanyl)-1,3-benzothiazole;hydrochloride
CID 71636191
5-nitro-2-[[(2S)-pyrrolidin-2-yl]methoxy]-1,3-benzothiazole
CID 97177944

Frequently Asked Questions

What is the IUPAC name of 6-nitro-N-(pyrrolidin-2-ylmethyl)quinoxalin-2-amine;hydrochloride?
The IUPAC name of 6-nitro-N-(pyrrolidin-2-ylmethyl)quinoxalin-2-amine;hydrochloride (CID 71635780) is 6-nitro-N-(pyrrolidin-2-ylmethyl)quinoxalin-2-amine;hydrochloride.
What is the SMILES notation for 6-nitro-N-(pyrrolidin-2-ylmethyl)quinoxalin-2-amine;hydrochloride?
The canonical SMILES for 6-nitro-N-(pyrrolidin-2-ylmethyl)quinoxalin-2-amine;hydrochloride is Cl.O=[N+]([O-])c1ccc2nc(NCC3CCCN3)cnc2c1.
What is the InChIKey of 6-nitro-N-(pyrrolidin-2-ylmethyl)quinoxalin-2-amine;hydrochloride?
The InChIKey is IBYNAIZPJIZAOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5O2.ClH/c19-18(20)10-3-4-11-12(6-10)15-8-13(17-11)16-7-9-2-1-5-14-9;/h3-4,6,8-9,14H,1-2,5,7H2,(H,16,17);1H.
What are the key properties of 6-nitro-N-(pyrrolidin-2-ylmethyl)quinoxalin-2-amine;hydrochloride?
6-nitro-N-(pyrrolidin-2-ylmethyl)quinoxalin-2-amine;hydrochloride has a molecular weight of 309.76 g/mol, XLogP of 2.12, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-nitro-N-(pyrrolidin-2-ylmethyl)quinoxalin-2-amine;hydrochloride is sourced from PubChem (CID 71635780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).