N'-(6-nitroquinolin-2-yl)ethane-1,2-diamine

C11H12N4O2 — CID 43450811

IUPACN'-(6-nitroquinolin-2-yl)ethane-1,2-diamine
SMILESNCCNc1ccc2cc([N+](=O)[O-])ccc2n1
InChIInChI=1S/C11H12N4O2/c12-5-6-13-11-4-1-8-7-9(15(16)17)2-3-10(8)14-11/h1-4,7H,5-6,12H2,(H,13,14)
InChIKeyULJORSRDDXAXJZ-UHFFFAOYSA-N
MW232.24 g/mol
LogP1.51
Rot. Bonds4

About N'-(6-nitroquinolin-2-yl)ethane-1,2-diamine

N'-(6-nitroquinolin-2-yl)ethane-1,2-diamine (PubChem CID 43450811) has the molecular formula C11H12N4O2 and a molecular weight of 232.24 g/mol. Its IUPAC name is N'-(6-nitroquinolin-2-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(6-nitroquinolin-2-yl)ethane-1,2-diamine
PubChem CID43450811
Molecular FormulaC11H12N4O2
Molecular Weight232.24 g/mol
Exact Mass232.10
IUPAC NameN'-(6-nitroquinolin-2-yl)ethane-1,2-diamine
SMILESNCCNc1ccc2cc([N+](=O)[O-])ccc2n1
InChIInChI=1S/C11H12N4O2/c12-5-6-13-11-4-1-8-7-9(15(16)17)2-3-10(8)14-11/h1-4,7H,5-6,12H2,(H,13,14)
InChIKeyULJORSRDDXAXJZ-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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Related Compounds

6-nitro-N-propylquinolin-2-amine
CID 43450859
N-(3-methylbutyl)-6-nitroquinolin-2-amine
CID 43450897
5-[(6-nitroquinolin-2-yl)amino]pentan-1-ol
CID 107302495
6-nitro-N-prop-2-ynylquinolin-2-amine
CID 55040690
N-(2-ethylsulfinylethyl)-6-nitroquinolin-2-amine
CID 115631435
N-(3-butoxypropyl)-6-nitroquinolin-2-amine
CID 78894533
N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-6-nitroquinolin-2-amine
CID 133459148
2-fluoro-N-[2-[(6-nitroquinolin-2-yl)amino]ethyl]benzamide
CID 133271463
N-(2-imidazol-1-ylethyl)-6-nitroquinolin-2-amine
CID 61324302
N,2-dimethyl-N'-(6-nitroquinolin-2-yl)propane-1,3-diamine
CID 115303024
1-[[(6-nitroquinolin-2-yl)amino]methyl]cyclobutan-1-ol
CID 115669126
N-[(3,5-dimethylpyrazolidin-4-yl)methyl]-6-nitroquinolin-2-amine
CID 133306017

Frequently Asked Questions

What is the IUPAC name of N'-(6-nitroquinolin-2-yl)ethane-1,2-diamine?
The IUPAC name of N'-(6-nitroquinolin-2-yl)ethane-1,2-diamine (CID 43450811) is N'-(6-nitroquinolin-2-yl)ethane-1,2-diamine.
What is the SMILES notation for N'-(6-nitroquinolin-2-yl)ethane-1,2-diamine?
The canonical SMILES for N'-(6-nitroquinolin-2-yl)ethane-1,2-diamine is NCCNc1ccc2cc([N+](=O)[O-])ccc2n1.
What is the InChIKey of N'-(6-nitroquinolin-2-yl)ethane-1,2-diamine?
The InChIKey is ULJORSRDDXAXJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O2/c12-5-6-13-11-4-1-8-7-9(15(16)17)2-3-10(8)14-11/h1-4,7H,5-6,12H2,(H,13,14).
What are the key properties of N'-(6-nitroquinolin-2-yl)ethane-1,2-diamine?
N'-(6-nitroquinolin-2-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'-(6-nitroquinolin-2-yl)ethane-1,2-diamine is sourced from PubChem (CID 43450811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).