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

C9H7FN2O3 — CID 51138330

IUPAC6-fluoro-8-nitro-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2cc(F)cc([N+](=O)[O-])c2N1
InChIInChI=1S/C9H7FN2O3/c10-6-3-5-1-2-8(13)11-9(5)7(4-6)12(14)15/h3-4H,1-2H2,(H,11,13)
InChIKeyJWAKJRPZAXKJKN-UHFFFAOYSA-N
MW210.16 g/mol
LogP1.62
Rot. Bonds1

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

6-fluoro-8-nitro-3,4-dihydro-1H-quinolin-2-one (PubChem CID 51138330) has the molecular formula C9H7FN2O3 and a molecular weight of 210.16 g/mol. Its IUPAC name is 6-fluoro-8-nitro-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-fluoro-8-nitro-3,4-dihydro-1H-quinolin-2-one
PubChem CID51138330
Molecular FormulaC9H7FN2O3
Molecular Weight210.16 g/mol
Exact Mass210.04
IUPAC Name6-fluoro-8-nitro-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2cc(F)cc([N+](=O)[O-])c2N1
InChIInChI=1S/C9H7FN2O3/c10-6-3-5-1-2-8(13)11-9(5)7(4-6)12(14)15/h3-4H,1-2H2,(H,11,13)
InChIKeyJWAKJRPZAXKJKN-UHFFFAOYSA-N
XLogP1.62
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.16
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 6-fluoro-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-hydroxy-8-nitro-3,4-dihydro-1H-quinolin-2-one
CID 71376841
5-fluoro-7-nitro-2,3-dihydro-1H-indole
CID 138106117
(2R)-6-fluoro-2-methyl-8-nitro-1,2,3,4-tetrahydroquinoline
CID 92982227
N-methoxy-N-methyl-8-nitro-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 155103176
6-fluoro-2-oxo-3,4-dihydro-1H-quinoline-8-carboxylic acid
CID 82104959
8-hydroxy-6-nitro-3,4-dihydro-1H-quinolin-2-one
CID 13051072
6-nitro-3,4-dihydro-1H-1,8-phenanthrolin-2-one
CID 166091414
8-fluoro-6-nitro-3,4-dihydro-1H-quinolin-2-one;8-fluoro-6-nitro-1,2,3,4-tetrahydroquinoline
CID 159216433
7-methyl-6-nitro-3,4-dihydro-1H-quinolin-2-one
CID 66881586
5-fluoro-3-hydroxy-7-nitro-1,3-dihydroindol-2-one
CID 61361234
6-fluoro-8-(1-hydroxypropyl)-3,4-dihydro-1H-quinolin-2-one
CID 82174262
7,8-difluoro-6-methyl-3,4-dihydro-1H-quinolin-2-one
CID 166091425

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-8-nitro-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6-fluoro-8-nitro-3,4-dihydro-1H-quinolin-2-one (CID 51138330) is 6-fluoro-8-nitro-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6-fluoro-8-nitro-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6-fluoro-8-nitro-3,4-dihydro-1H-quinolin-2-one is O=C1CCc2cc(F)cc([N+](=O)[O-])c2N1.
What is the InChIKey of 6-fluoro-8-nitro-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is JWAKJRPZAXKJKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7FN2O3/c10-6-3-5-1-2-8(13)11-9(5)7(4-6)12(14)15/h3-4H,1-2H2,(H,11,13).
What are the key properties of 6-fluoro-8-nitro-3,4-dihydro-1H-quinolin-2-one?
6-fluoro-8-nitro-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 210.16 g/mol, XLogP of 1.62, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-8-nitro-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 51138330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).