N'-(5-nitroquinolin-8-yl)ethane-1,2-diamine

C11H12N4O2 — CID 2829587

IUPACN'-(5-nitroquinolin-8-yl)ethane-1,2-diamine
SMILESNCCNc1ccc([N+](=O)[O-])c2cccnc12
InChIInChI=1S/C11H12N4O2/c12-5-7-13-9-3-4-10(15(16)17)8-2-1-6-14-11(8)9/h1-4,6,13H,5,7,12H2
InChIKeyQWERJBJISYXSIZ-UHFFFAOYSA-N
MW232.24 g/mol
LogP1.51
Rot. Bonds4

About N'-(5-nitroquinolin-8-yl)ethane-1,2-diamine

N'-(5-nitroquinolin-8-yl)ethane-1,2-diamine (PubChem CID 2829587) has the molecular formula C11H12N4O2 and a molecular weight of 232.24 g/mol. Its IUPAC name is N'-(5-nitroquinolin-8-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(5-nitroquinolin-8-yl)ethane-1,2-diamine
PubChem CID2829587
Molecular FormulaC11H12N4O2
Molecular Weight232.24 g/mol
Exact Mass232.10
IUPAC NameN'-(5-nitroquinolin-8-yl)ethane-1,2-diamine
SMILESNCCNc1ccc([N+](=O)[O-])c2cccnc12
InChIInChI=1S/C11H12N4O2/c12-5-7-13-9-3-4-10(15(16)17)8-2-1-6-14-11(8)9/h1-4,6,13H,5,7,12H2
InChIKeyQWERJBJISYXSIZ-UHFFFAOYSA-N
XLogP1.51
TPSA94.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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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Frequently Asked Questions

What is the IUPAC name of N'-(5-nitroquinolin-8-yl)ethane-1,2-diamine?
The IUPAC name of N'-(5-nitroquinolin-8-yl)ethane-1,2-diamine (CID 2829587) is N'-(5-nitroquinolin-8-yl)ethane-1,2-diamine.
What is the SMILES notation for N'-(5-nitroquinolin-8-yl)ethane-1,2-diamine?
The canonical SMILES for N'-(5-nitroquinolin-8-yl)ethane-1,2-diamine is NCCNc1ccc([N+](=O)[O-])c2cccnc12.
What is the InChIKey of N'-(5-nitroquinolin-8-yl)ethane-1,2-diamine?
The InChIKey is QWERJBJISYXSIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O2/c12-5-7-13-9-3-4-10(15(16)17)8-2-1-6-14-11(8)9/h1-4,6,13H,5,7,12H2.
What are the key properties of N'-(5-nitroquinolin-8-yl)ethane-1,2-diamine?
N'-(5-nitroquinolin-8-yl)ethane-1,2-diamine has a molecular weight of 232.24 g/mol, XLogP of 1.51, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-nitroquinolin-8-yl)ethane-1,2-diamine is sourced from PubChem (CID 2829587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).