3-nitroquinolin-2-amine

C9H7N3O2 — CID 12663938

IUPAC3-nitroquinolin-2-amine
SMILESNc1nc2ccccc2cc1[N+](=O)[O-]
InChIInChI=1S/C9H7N3O2/c10-9-8(12(13)14)5-6-3-1-2-4-7(6)11-9/h1-5H,(H2,10,11)
InChIKeyJQUPBDWYDNZJQC-UHFFFAOYSA-N
MW189.17 g/mol
LogP1.73
Rot. Bonds1

About 3-nitroquinolin-2-amine

3-nitroquinolin-2-amine (PubChem CID 12663938) has the molecular formula C9H7N3O2 and a molecular weight of 189.17 g/mol. Its IUPAC name is 3-nitroquinolin-2-amine.

Molecular Properties

Compound Name3-nitroquinolin-2-amine
PubChem CID12663938
Molecular FormulaC9H7N3O2
Molecular Weight189.17 g/mol
Exact Mass189.05
IUPAC Name3-nitroquinolin-2-amine
SMILESNc1nc2ccccc2cc1[N+](=O)[O-]
InChIInChI=1S/C9H7N3O2/c10-9-8(12(13)14)5-6-3-1-2-4-7(6)11-9/h1-5H,(H2,10,11)
InChIKeyJQUPBDWYDNZJQC-UHFFFAOYSA-N
XLogP1.73
TPSA82.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.17
LogP ≤ 51.73
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 3-nitroquinolin-2-amine?
The IUPAC name of 3-nitroquinolin-2-amine (CID 12663938) is 3-nitroquinolin-2-amine.
What is the SMILES notation for 3-nitroquinolin-2-amine?
The canonical SMILES for 3-nitroquinolin-2-amine is Nc1nc2ccccc2cc1[N+](=O)[O-].
What is the InChIKey of 3-nitroquinolin-2-amine?
The InChIKey is JQUPBDWYDNZJQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N3O2/c10-9-8(12(13)14)5-6-3-1-2-4-7(6)11-9/h1-5H,(H2,10,11).
What are the key properties of 3-nitroquinolin-2-amine?
3-nitroquinolin-2-amine has a molecular weight of 189.17 g/mol, XLogP of 1.73, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-nitroquinolin-2-amine is sourced from PubChem (CID 12663938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).