7-bromo-3-nitroquinolin-4-amine

C9H6BrN3O2 — CID 91619940

IUPAC7-bromo-3-nitroquinolin-4-amine
SMILESNc1c([N+](=O)[O-])cnc2cc(Br)ccc12
InChIInChI=1S/C9H6BrN3O2/c10-5-1-2-6-7(3-5)12-4-8(9(6)11)13(14)15/h1-4H,(H2,11,12)
InChIKeyRCSVAMYXGYIYHC-UHFFFAOYSA-N
MW268.07 g/mol
LogP2.49
Rot. Bonds1

About 7-bromo-3-nitroquinolin-4-amine

7-bromo-3-nitroquinolin-4-amine (PubChem CID 91619940) has the molecular formula C9H6BrN3O2 and a molecular weight of 268.07 g/mol. Its IUPAC name is 7-bromo-3-nitroquinolin-4-amine.

Molecular Properties

Compound Name7-bromo-3-nitroquinolin-4-amine
PubChem CID91619940
Molecular FormulaC9H6BrN3O2
Molecular Weight268.07 g/mol
Exact Mass266.96
IUPAC Name7-bromo-3-nitroquinolin-4-amine
SMILESNc1c([N+](=O)[O-])cnc2cc(Br)ccc12
InChIInChI=1S/C9H6BrN3O2/c10-5-1-2-6-7(3-5)12-4-8(9(6)11)13(14)15/h1-4H,(H2,11,12)
InChIKeyRCSVAMYXGYIYHC-UHFFFAOYSA-N
XLogP2.49
TPSA82.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.07
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 7-bromo-3-nitroquinolin-4-amine?
The IUPAC name of 7-bromo-3-nitroquinolin-4-amine (CID 91619940) is 7-bromo-3-nitroquinolin-4-amine.
What is the SMILES notation for 7-bromo-3-nitroquinolin-4-amine?
The canonical SMILES for 7-bromo-3-nitroquinolin-4-amine is Nc1c([N+](=O)[O-])cnc2cc(Br)ccc12.
What is the InChIKey of 7-bromo-3-nitroquinolin-4-amine?
The InChIKey is RCSVAMYXGYIYHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6BrN3O2/c10-5-1-2-6-7(3-5)12-4-8(9(6)11)13(14)15/h1-4H,(H2,11,12).
What are the key properties of 7-bromo-3-nitroquinolin-4-amine?
7-bromo-3-nitroquinolin-4-amine has a molecular weight of 268.07 g/mol, XLogP of 2.49, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-3-nitroquinolin-4-amine is sourced from PubChem (CID 91619940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).