6-hydroxy-8-nitro-3,4-dihydro-1H-quinolin-2-one

C9H8N2O4 — CID 71376841

IUPAC6-hydroxy-8-nitro-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2cc(O)cc([N+](=O)[O-])c2N1
InChIInChI=1S/C9H8N2O4/c12-6-3-5-1-2-8(13)10-9(5)7(4-6)11(14)15/h3-4,12H,1-2H2,(H,10,13)
InChIKeyDUZFNLYYHUGWLN-UHFFFAOYSA-N
MW208.17 g/mol
LogP1.19
Rot. Bonds1

About 6-hydroxy-8-nitro-3,4-dihydro-1H-quinolin-2-one

6-hydroxy-8-nitro-3,4-dihydro-1H-quinolin-2-one (PubChem CID 71376841) has the molecular formula C9H8N2O4 and a molecular weight of 208.17 g/mol. Its IUPAC name is 6-hydroxy-8-nitro-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-hydroxy-8-nitro-3,4-dihydro-1H-quinolin-2-one
PubChem CID71376841
Molecular FormulaC9H8N2O4
Molecular Weight208.17 g/mol
Exact Mass208.05
IUPAC Name6-hydroxy-8-nitro-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2cc(O)cc([N+](=O)[O-])c2N1
InChIInChI=1S/C9H8N2O4/c12-6-3-5-1-2-8(13)10-9(5)7(4-6)11(14)15/h3-4,12H,1-2H2,(H,10,13)
InChIKeyDUZFNLYYHUGWLN-UHFFFAOYSA-N
XLogP1.19
TPSA92.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.17
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 6-hydroxy-8-nitro-3,4-dihydro-1H-quinolin-2-one with MolForge

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

Launch Full Analysis

Related Compounds

6-fluoro-8-nitro-3,4-dihydro-1H-quinolin-2-one
CID 51138330
8-hydroxy-6-nitro-3,4-dihydro-1H-quinolin-2-one
CID 13051072
8-chloro-6-hydroxy-3,4-dihydro-1H-quinolin-2-one
CID 14268518
N-methoxy-N-methyl-8-nitro-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 155103176
6-nitro-3,4-dihydro-1H-1,8-phenanthrolin-2-one
CID 166091414
7-methyl-6-nitro-3,4-dihydro-1H-quinolin-2-one
CID 66881586
6-hydroxy-9-nitro-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 10560970
6-(2-hydroxyethylamino)-7-nitro-3,4-dihydro-1H-quinolin-2-one
CID 43382886
8-fluoro-6-nitro-3,4-dihydro-1H-quinolin-2-one;8-fluoro-6-nitro-1,2,3,4-tetrahydroquinoline
CID 159216433
6-(ethylamino)-7-nitro-3,4-dihydro-1H-quinolin-2-one
CID 43449821
7-[(2-hydroxy-2-methylpropyl)amino]-6-nitro-3,4-dihydro-1H-quinolin-2-one
CID 115618366
6-(4-acetylpiperazin-1-yl)-7-nitro-3,4-dihydro-1H-quinolin-2-one
CID 10947089

Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-8-nitro-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6-hydroxy-8-nitro-3,4-dihydro-1H-quinolin-2-one (CID 71376841) is 6-hydroxy-8-nitro-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6-hydroxy-8-nitro-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6-hydroxy-8-nitro-3,4-dihydro-1H-quinolin-2-one is O=C1CCc2cc(O)cc([N+](=O)[O-])c2N1.
What is the InChIKey of 6-hydroxy-8-nitro-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is DUZFNLYYHUGWLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O4/c12-6-3-5-1-2-8(13)10-9(5)7(4-6)11(14)15/h3-4,12H,1-2H2,(H,10,13).
What are the key properties of 6-hydroxy-8-nitro-3,4-dihydro-1H-quinolin-2-one?
6-hydroxy-8-nitro-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 208.17 g/mol, XLogP of 1.19, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-8-nitro-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 71376841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).