8-nitro-6-(trifluoromethoxy)-1H-quinolin-2-one

C10H5F3N2O4 — CID 86669755

IUPAC8-nitro-6-(trifluoromethoxy)-1H-quinolin-2-one
SMILESO=c1ccc2cc(OC(F)(F)F)cc([N+](=O)[O-])c2[nH]1
InChIInChI=1S/C10H5F3N2O4/c11-10(12,13)19-6-3-5-1-2-8(16)14-9(5)7(4-6)15(17)18/h1-4H,(H,14,16)
InChIKeyYUCCIHZPSJOPHD-UHFFFAOYSA-N
MW274.15 g/mol
LogP2.33
Rot. Bonds2

About 8-nitro-6-(trifluoromethoxy)-1H-quinolin-2-one

8-nitro-6-(trifluoromethoxy)-1H-quinolin-2-one (PubChem CID 86669755) has the molecular formula C10H5F3N2O4 and a molecular weight of 274.15 g/mol. Its IUPAC name is 8-nitro-6-(trifluoromethoxy)-1H-quinolin-2-one.

Molecular Properties

Compound Name8-nitro-6-(trifluoromethoxy)-1H-quinolin-2-one
PubChem CID86669755
Molecular FormulaC10H5F3N2O4
Molecular Weight274.15 g/mol
Exact Mass274.02
IUPAC Name8-nitro-6-(trifluoromethoxy)-1H-quinolin-2-one
SMILESO=c1ccc2cc(OC(F)(F)F)cc([N+](=O)[O-])c2[nH]1
InChIInChI=1S/C10H5F3N2O4/c11-10(12,13)19-6-3-5-1-2-8(16)14-9(5)7(4-6)15(17)18/h1-4H,(H,14,16)
InChIKeyYUCCIHZPSJOPHD-UHFFFAOYSA-N
XLogP2.33
TPSA85.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.15
LogP ≤ 52.33
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'}

Analyze 8-nitro-6-(trifluoromethoxy)-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

Frequently Asked Questions

What is the IUPAC name of 8-nitro-6-(trifluoromethoxy)-1H-quinolin-2-one?
The IUPAC name of 8-nitro-6-(trifluoromethoxy)-1H-quinolin-2-one (CID 86669755) is 8-nitro-6-(trifluoromethoxy)-1H-quinolin-2-one.
What is the SMILES notation for 8-nitro-6-(trifluoromethoxy)-1H-quinolin-2-one?
The canonical SMILES for 8-nitro-6-(trifluoromethoxy)-1H-quinolin-2-one is O=c1ccc2cc(OC(F)(F)F)cc([N+](=O)[O-])c2[nH]1.
What is the InChIKey of 8-nitro-6-(trifluoromethoxy)-1H-quinolin-2-one?
The InChIKey is YUCCIHZPSJOPHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5F3N2O4/c11-10(12,13)19-6-3-5-1-2-8(16)14-9(5)7(4-6)15(17)18/h1-4H,(H,14,16).
What are the key properties of 8-nitro-6-(trifluoromethoxy)-1H-quinolin-2-one?
8-nitro-6-(trifluoromethoxy)-1H-quinolin-2-one has a molecular weight of 274.15 g/mol, XLogP of 2.33, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-nitro-6-(trifluoromethoxy)-1H-quinolin-2-one is sourced from PubChem (CID 86669755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).