6-methoxy-2-[3-(trifluoromethoxy)phenyl]quinoline-5,8-dione

C17H10F3NO4 — CID 142429737

IUPAC6-methoxy-2-[3-(trifluoromethoxy)phenyl]quinoline-5,8-dione
SMILESCOC1=CC(=O)c2nc(-c3cccc(OC(F)(F)F)c3)ccc2C1=O
InChIInChI=1S/C17H10F3NO4/c1-24-14-8-13(22)15-11(16(14)23)5-6-12(21-15)9-3-2-4-10(7-9)25-17(18,19)20/h2-8H,1H3
InChIKeyZLANDJQSFJGVLQ-UHFFFAOYSA-N
MW349.26 g/mol
LogP3.56
Rot. Bonds3

About 6-methoxy-2-[3-(trifluoromethoxy)phenyl]quinoline-5,8-dione

6-methoxy-2-[3-(trifluoromethoxy)phenyl]quinoline-5,8-dione (PubChem CID 142429737) has the molecular formula C17H10F3NO4 and a molecular weight of 349.26 g/mol. Its IUPAC name is 6-methoxy-2-[3-(trifluoromethoxy)phenyl]quinoline-5,8-dione.

Molecular Properties

Compound Name6-methoxy-2-[3-(trifluoromethoxy)phenyl]quinoline-5,8-dione
PubChem CID142429737
Molecular FormulaC17H10F3NO4
Molecular Weight349.26 g/mol
Exact Mass349.06
IUPAC Name6-methoxy-2-[3-(trifluoromethoxy)phenyl]quinoline-5,8-dione
SMILESCOC1=CC(=O)c2nc(-c3cccc(OC(F)(F)F)c3)ccc2C1=O
InChIInChI=1S/C17H10F3NO4/c1-24-14-8-13(22)15-11(16(14)23)5-6-12(21-15)9-3-2-4-10(7-9)25-17(18,19)20/h2-8H,1H3
InChIKeyZLANDJQSFJGVLQ-UHFFFAOYSA-N
XLogP3.56
TPSA65.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.26
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}

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Related Compounds

7-methoxy-3-(trifluoromethyl)-3,4-dihydro-2H-acridin-1-one
CID 156017074
2-(4-Methoxyphenyl)-7,8-dihydroquinolin-5(6H)-one
CID 12519796
(4-Fluoro-3-methoxyphenyl)-(6-phenyl-2-pyridinyl)methanone
CID 134134826
6-Methoxy-2-phenylquinoline-5,8-dione
CID 15907476
7-Amino-2-[4-(difluoromethoxy)phenyl]quinoline-5,8-dione
CID 147382735
7-Amino-2-[4-(2-methoxyethoxy)phenyl]quinoline-5,8-dione
CID 177250655
6-Methoxy-2-(4-methylphenyl)quinoline-5,8-dione
CID 15907477
6-Methoxy-2-(3,4,5-trimethoxyphenyl)quinoline-5,8-dione
CID 24829373
2-(1-Benzofuran-2-yl)-6-methoxyquinoline-5,8-dione
CID 44309436
7-(4-Fluorophenoxy)-2-methylquinoline-5,8-dione
CID 163360806
1-[2-Methyl-4-phenyl-6-(trifluoromethoxy)quinolin-3-yl]ethanone
CID 830053
1-(2-Fluorophenyl)-2-(6-methoxy-2-pyridinyl)ethanone
CID 122208293

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2-[3-(trifluoromethoxy)phenyl]quinoline-5,8-dione?
The IUPAC name of 6-methoxy-2-[3-(trifluoromethoxy)phenyl]quinoline-5,8-dione (CID 142429737) is 6-methoxy-2-[3-(trifluoromethoxy)phenyl]quinoline-5,8-dione.
What is the SMILES notation for 6-methoxy-2-[3-(trifluoromethoxy)phenyl]quinoline-5,8-dione?
The canonical SMILES for 6-methoxy-2-[3-(trifluoromethoxy)phenyl]quinoline-5,8-dione is COC1=CC(=O)c2nc(-c3cccc(OC(F)(F)F)c3)ccc2C1=O.
What is the InChIKey of 6-methoxy-2-[3-(trifluoromethoxy)phenyl]quinoline-5,8-dione?
The InChIKey is ZLANDJQSFJGVLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10F3NO4/c1-24-14-8-13(22)15-11(16(14)23)5-6-12(21-15)9-3-2-4-10(7-9)25-17(18,19)20/h2-8H,1H3.
What are the key properties of 6-methoxy-2-[3-(trifluoromethoxy)phenyl]quinoline-5,8-dione?
6-methoxy-2-[3-(trifluoromethoxy)phenyl]quinoline-5,8-dione has a molecular weight of 349.26 g/mol, XLogP of 3.56, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2-[3-(trifluoromethoxy)phenyl]quinoline-5,8-dione is sourced from PubChem (CID 142429737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).