(3-tert-butyl-6-nitroquinolin-2-yl)hydrazine

C13H16N4O2 — CID 63385820

IUPAC(3-tert-butyl-6-nitroquinolin-2-yl)hydrazine
SMILESCC(C)(C)c1cc2cc([N+](=O)[O-])ccc2nc1NN
InChIInChI=1S/C13H16N4O2/c1-13(2,3)10-7-8-6-9(17(18)19)4-5-11(8)15-12(10)16-14/h4-7H,14H2,1-3H3,(H,15,16)
InChIKeyTWRGYRISBPKBMK-UHFFFAOYSA-N
MW260.30 g/mol
LogP2.73
Rot. Bonds2

About (3-tert-butyl-6-nitroquinolin-2-yl)hydrazine

(3-tert-butyl-6-nitroquinolin-2-yl)hydrazine (PubChem CID 63385820) has the molecular formula C13H16N4O2 and a molecular weight of 260.30 g/mol. Its IUPAC name is (3-tert-butyl-6-nitroquinolin-2-yl)hydrazine.

Molecular Properties

Compound Name(3-tert-butyl-6-nitroquinolin-2-yl)hydrazine
PubChem CID63385820
Molecular FormulaC13H16N4O2
Molecular Weight260.30 g/mol
Exact Mass260.13
IUPAC Name(3-tert-butyl-6-nitroquinolin-2-yl)hydrazine
SMILESCC(C)(C)c1cc2cc([N+](=O)[O-])ccc2nc1NN
InChIInChI=1S/C13H16N4O2/c1-13(2,3)10-7-8-6-9(17(18)19)4-5-11(8)15-12(10)16-14/h4-7H,14H2,1-3H3,(H,15,16)
InChIKeyTWRGYRISBPKBMK-UHFFFAOYSA-N
XLogP2.73
TPSA94.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (3-tert-butyl-6-nitroquinolin-2-yl)hydrazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3-tert-butyl-6-nitroquinolin-2-yl)hydrazine?
The IUPAC name of (3-tert-butyl-6-nitroquinolin-2-yl)hydrazine (CID 63385820) is (3-tert-butyl-6-nitroquinolin-2-yl)hydrazine.
What is the SMILES notation for (3-tert-butyl-6-nitroquinolin-2-yl)hydrazine?
The canonical SMILES for (3-tert-butyl-6-nitroquinolin-2-yl)hydrazine is CC(C)(C)c1cc2cc([N+](=O)[O-])ccc2nc1NN.
What is the InChIKey of (3-tert-butyl-6-nitroquinolin-2-yl)hydrazine?
The InChIKey is TWRGYRISBPKBMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2/c1-13(2,3)10-7-8-6-9(17(18)19)4-5-11(8)15-12(10)16-14/h4-7H,14H2,1-3H3,(H,15,16).
What are the key properties of (3-tert-butyl-6-nitroquinolin-2-yl)hydrazine?
(3-tert-butyl-6-nitroquinolin-2-yl)hydrazine has a molecular weight of 260.30 g/mol, XLogP of 2.73, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-tert-butyl-6-nitroquinolin-2-yl)hydrazine is sourced from PubChem (CID 63385820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).