2-nitroquinolin-3-amine

C9H7N3O2 — CID 19034749

IUPAC2-nitroquinolin-3-amine
SMILESNc1cc2ccccc2nc1[N+](=O)[O-]
InChIInChI=1S/C9H7N3O2/c10-7-5-6-3-1-2-4-8(6)11-9(7)12(13)14/h1-5H,10H2
InChIKeyWLRYENIHLPMXMO-UHFFFAOYSA-N
MW189.17 g/mol
LogP1.73
Rot. Bonds1

About 2-nitroquinolin-3-amine

2-nitroquinolin-3-amine (PubChem CID 19034749) has the molecular formula C9H7N3O2 and a molecular weight of 189.17 g/mol. Its IUPAC name is 2-nitroquinolin-3-amine.

Molecular Properties

Compound Name2-nitroquinolin-3-amine
PubChem CID19034749
Molecular FormulaC9H7N3O2
Molecular Weight189.17 g/mol
Exact Mass189.05
IUPAC Name2-nitroquinolin-3-amine
SMILESNc1cc2ccccc2nc1[N+](=O)[O-]
InChIInChI=1S/C9H7N3O2/c10-7-5-6-3-1-2-4-8(6)11-9(7)12(13)14/h1-5H,10H2
InChIKeyWLRYENIHLPMXMO-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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Related Compounds

3-nitrocinnolin-4-amine
CID 12647462
2-chloro-3-(2-nitrophenyl)quinoline
CID 167354575
2-aminoquinoline-3-carboxylic acid;2,4,6-trinitrophenol
CID 2750069
3-nitroacridin-9-amine
CID 26592
acridine
CID 21226281
2-(2-methoxyethyl)-3-nitroquinoline
CID 140973022
8-nitrophenanthridin-6-amine
CID 90682315
1-nitrophenazin-2-amine
CID 121007009
2-nitroaniline;dihydrochloride
CID 69408891
2-nitroaniline;sulfane
CID 175331446
2,3-dinitrohexacene
CID 101108857
1,3-dinitroisoquinoline
CID 87506157

Frequently Asked Questions

What is the IUPAC name of 2-nitroquinolin-3-amine?
The IUPAC name of 2-nitroquinolin-3-amine (CID 19034749) is 2-nitroquinolin-3-amine.
What is the SMILES notation for 2-nitroquinolin-3-amine?
The canonical SMILES for 2-nitroquinolin-3-amine is Nc1cc2ccccc2nc1[N+](=O)[O-].
What is the InChIKey of 2-nitroquinolin-3-amine?
The InChIKey is WLRYENIHLPMXMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N3O2/c10-7-5-6-3-1-2-4-8(6)11-9(7)12(13)14/h1-5H,10H2.
What are the key properties of 2-nitroquinolin-3-amine?
2-nitroquinolin-3-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 2-nitroquinolin-3-amine is sourced from PubChem (CID 19034749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).