6-methoxy-8-nitro-2-(trifluoromethyl)-1H-quinolin-4-one

C11H7F3N2O4 — CID 625643

IUPAC6-methoxy-8-nitro-2-(trifluoromethyl)-1H-quinolin-4-one
SMILESCOc1cc([N+](=O)[O-])c2[nH]c(C(F)(F)F)cc(=O)c2c1
InChIInChI=1S/C11H7F3N2O4/c1-20-5-2-6-8(17)4-9(11(12,13)14)15-10(6)7(3-5)16(18)19/h2-4H,1H3,(H,15,17)
InChIKeyTXAXGCRDRUNTKP-UHFFFAOYSA-N
MW288.18 g/mol
LogP2.46
Rot. Bonds2

About 6-methoxy-8-nitro-2-(trifluoromethyl)-1H-quinolin-4-one

6-methoxy-8-nitro-2-(trifluoromethyl)-1H-quinolin-4-one (PubChem CID 625643) has the molecular formula C11H7F3N2O4 and a molecular weight of 288.18 g/mol. Its IUPAC name is 6-methoxy-8-nitro-2-(trifluoromethyl)-1H-quinolin-4-one.

Molecular Properties

Compound Name6-methoxy-8-nitro-2-(trifluoromethyl)-1H-quinolin-4-one
PubChem CID625643
Molecular FormulaC11H7F3N2O4
Molecular Weight288.18 g/mol
Exact Mass288.04
IUPAC Name6-methoxy-8-nitro-2-(trifluoromethyl)-1H-quinolin-4-one
SMILESCOc1cc([N+](=O)[O-])c2[nH]c(C(F)(F)F)cc(=O)c2c1
InChIInChI=1S/C11H7F3N2O4/c1-20-5-2-6-8(17)4-9(11(12,13)14)15-10(6)7(3-5)16(18)19/h2-4H,1H3,(H,15,17)
InChIKeyTXAXGCRDRUNTKP-UHFFFAOYSA-N
XLogP2.46
TPSA85.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.18
LogP ≤ 52.46
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 6-methoxy-8-nitro-2-(trifluoromethyl)-1H-quinolin-4-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 6-methoxy-8-nitro-2-(trifluoromethyl)-1H-quinolin-4-one?
The IUPAC name of 6-methoxy-8-nitro-2-(trifluoromethyl)-1H-quinolin-4-one (CID 625643) is 6-methoxy-8-nitro-2-(trifluoromethyl)-1H-quinolin-4-one.
What is the SMILES notation for 6-methoxy-8-nitro-2-(trifluoromethyl)-1H-quinolin-4-one?
The canonical SMILES for 6-methoxy-8-nitro-2-(trifluoromethyl)-1H-quinolin-4-one is COc1cc([N+](=O)[O-])c2[nH]c(C(F)(F)F)cc(=O)c2c1.
What is the InChIKey of 6-methoxy-8-nitro-2-(trifluoromethyl)-1H-quinolin-4-one?
The InChIKey is TXAXGCRDRUNTKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7F3N2O4/c1-20-5-2-6-8(17)4-9(11(12,13)14)15-10(6)7(3-5)16(18)19/h2-4H,1H3,(H,15,17).
What are the key properties of 6-methoxy-8-nitro-2-(trifluoromethyl)-1H-quinolin-4-one?
6-methoxy-8-nitro-2-(trifluoromethyl)-1H-quinolin-4-one has a molecular weight of 288.18 g/mol, XLogP of 2.46, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-8-nitro-2-(trifluoromethyl)-1H-quinolin-4-one is sourced from PubChem (CID 625643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).