diethyl-[2-[(6-nitroquinolin-1-ium-4-yl)amino]ethyl]azanium

C15H22N4O2+2 — CID 7154633

IUPACdiethyl-[2-[(6-nitroquinolin-1-ium-4-yl)amino]ethyl]azanium
SMILESCC[NH+](CC)CCNc1cc[nH+]c2ccc([N+](=O)[O-])cc12
InChIInChI=1S/C15H20N4O2/c1-3-18(4-2)10-9-17-15-7-8-16-14-6-5-12(19(20)21)11-13(14)15/h5-8,11H,3-4,9-10H2,1-2H3,(H,16,17)/p+2
InChIKeyVSABBYVDWUCJNM-UHFFFAOYSA-P
MW290.37 g/mol
LogP0.90
Rot. Bonds7

About diethyl-[2-[(6-nitroquinolin-1-ium-4-yl)amino]ethyl]azanium

diethyl-[2-[(6-nitroquinolin-1-ium-4-yl)amino]ethyl]azanium (PubChem CID 7154633) has the molecular formula C15H22N4O2+2 and a molecular weight of 290.37 g/mol. Its IUPAC name is diethyl-[2-[(6-nitroquinolin-1-ium-4-yl)amino]ethyl]azanium.

Molecular Properties

Compound Namediethyl-[2-[(6-nitroquinolin-1-ium-4-yl)amino]ethyl]azanium
PubChem CID7154633
Molecular FormulaC15H22N4O2+2
Molecular Weight290.37 g/mol
Exact Mass290.17
IUPAC Namediethyl-[2-[(6-nitroquinolin-1-ium-4-yl)amino]ethyl]azanium
SMILESCC[NH+](CC)CCNc1cc[nH+]c2ccc([N+](=O)[O-])cc12
InChIInChI=1S/C15H20N4O2/c1-3-18(4-2)10-9-17-15-7-8-16-14-6-5-12(19(20)21)11-13(14)15/h5-8,11H,3-4,9-10H2,1-2H3,(H,16,17)/p+2
InChIKeyVSABBYVDWUCJNM-UHFFFAOYSA-P
XLogP0.90
TPSA73.75 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

diethyl-[2-[(4-nitrobenzoyl)amino]ethyl]azanium chloride
CID 16571
2-(4-chloro-2,6-dinitroanilino)ethyl-diethylazanium
CID 7201275
methyl 3-(2-chloro-4-nitroanilino)propanoate
CID 60632030
N-(2-fluoroethyl)-2-iodo-4-nitroaniline
CID 130504221
diethyl-[2-[(4-nitro-2,1,3-benzothiadiazol-5-yl)amino]ethyl]azanium
CID 7207907
2-chloro-N-ethyl-5-nitroaniline
CID 43718971
2-iodo-4-nitro-N-octylaniline
CID 115568882
2-bromo-N-(2-ethylsulfonylethyl)-4-nitroaniline
CID 114111392
4-nitro-N-propyl-2-(propylamino)benzenesulfonamide
CID 62148948
N'-(2-iodo-4-nitrophenyl)-N-propylethane-1,2-diamine
CID 66093913
N-(3,3-dimethylbutyl)-2-methoxy-5-nitroaniline
CID 55211790
N'-(2-ethyl-4-nitrophenyl)ethane-1,2-diamine
CID 57324403

Frequently Asked Questions

What is the IUPAC name of diethyl-[2-[(6-nitroquinolin-1-ium-4-yl)amino]ethyl]azanium?
The IUPAC name of diethyl-[2-[(6-nitroquinolin-1-ium-4-yl)amino]ethyl]azanium (CID 7154633) is diethyl-[2-[(6-nitroquinolin-1-ium-4-yl)amino]ethyl]azanium.
What is the SMILES notation for diethyl-[2-[(6-nitroquinolin-1-ium-4-yl)amino]ethyl]azanium?
The canonical SMILES for diethyl-[2-[(6-nitroquinolin-1-ium-4-yl)amino]ethyl]azanium is CC[NH+](CC)CCNc1cc[nH+]c2ccc([N+](=O)[O-])cc12.
What is the InChIKey of diethyl-[2-[(6-nitroquinolin-1-ium-4-yl)amino]ethyl]azanium?
The InChIKey is VSABBYVDWUCJNM-UHFFFAOYSA-P. The full InChI is InChI=1S/C15H20N4O2/c1-3-18(4-2)10-9-17-15-7-8-16-14-6-5-12(19(20)21)11-13(14)15/h5-8,11H,3-4,9-10H2,1-2H3,(H,16,17)/p+2.
What are the key properties of diethyl-[2-[(6-nitroquinolin-1-ium-4-yl)amino]ethyl]azanium?
diethyl-[2-[(6-nitroquinolin-1-ium-4-yl)amino]ethyl]azanium has a molecular weight of 290.37 g/mol, XLogP of 0.90, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl-[2-[(6-nitroquinolin-1-ium-4-yl)amino]ethyl]azanium is sourced from PubChem (CID 7154633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).