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

C17H11F3N2O4 — CID 146443970

IUPAC7-amino-6-methoxy-2-[3-(trifluoromethoxy)phenyl]quinoline-5,8-dione
SMILESCOC1=C(N)C(=O)c2nc(-c3cccc(OC(F)(F)F)c3)ccc2C1=O
InChIInChI=1S/C17H11F3N2O4/c1-25-16-12(21)15(24)13-10(14(16)23)5-6-11(22-13)8-3-2-4-9(7-8)26-17(18,19)20/h2-7H,21H2,1H3
InChIKeyFZVXDCLJZAHLAJ-UHFFFAOYSA-N
MW364.28 g/mol
LogP2.84
Rot. Bonds3

About 7-amino-6-methoxy-2-[3-(trifluoromethoxy)phenyl]quinoline-5,8-dione

7-amino-6-methoxy-2-[3-(trifluoromethoxy)phenyl]quinoline-5,8-dione (PubChem CID 146443970) has the molecular formula C17H11F3N2O4 and a molecular weight of 364.28 g/mol. Its IUPAC name is 7-amino-6-methoxy-2-[3-(trifluoromethoxy)phenyl]quinoline-5,8-dione.

Molecular Properties

Compound Name7-amino-6-methoxy-2-[3-(trifluoromethoxy)phenyl]quinoline-5,8-dione
PubChem CID146443970
Molecular FormulaC17H11F3N2O4
Molecular Weight364.28 g/mol
Exact Mass364.07
IUPAC Name7-amino-6-methoxy-2-[3-(trifluoromethoxy)phenyl]quinoline-5,8-dione
SMILESCOC1=C(N)C(=O)c2nc(-c3cccc(OC(F)(F)F)c3)ccc2C1=O
InChIInChI=1S/C17H11F3N2O4/c1-25-16-12(21)15(24)13-10(14(16)23)5-6-11(22-13)8-3-2-4-9(7-8)26-17(18,19)20/h2-7H,21H2,1H3
InChIKeyFZVXDCLJZAHLAJ-UHFFFAOYSA-N
XLogP2.84
TPSA91.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.28
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-amino-6-methoxy-2-[3-(trifluoromethoxy)phenyl]quinoline-5,8-dione?
The IUPAC name of 7-amino-6-methoxy-2-[3-(trifluoromethoxy)phenyl]quinoline-5,8-dione (CID 146443970) is 7-amino-6-methoxy-2-[3-(trifluoromethoxy)phenyl]quinoline-5,8-dione.
What is the SMILES notation for 7-amino-6-methoxy-2-[3-(trifluoromethoxy)phenyl]quinoline-5,8-dione?
The canonical SMILES for 7-amino-6-methoxy-2-[3-(trifluoromethoxy)phenyl]quinoline-5,8-dione is COC1=C(N)C(=O)c2nc(-c3cccc(OC(F)(F)F)c3)ccc2C1=O.
What is the InChIKey of 7-amino-6-methoxy-2-[3-(trifluoromethoxy)phenyl]quinoline-5,8-dione?
The InChIKey is FZVXDCLJZAHLAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11F3N2O4/c1-25-16-12(21)15(24)13-10(14(16)23)5-6-11(22-13)8-3-2-4-9(7-8)26-17(18,19)20/h2-7H,21H2,1H3.
What are the key properties of 7-amino-6-methoxy-2-[3-(trifluoromethoxy)phenyl]quinoline-5,8-dione?
7-amino-6-methoxy-2-[3-(trifluoromethoxy)phenyl]quinoline-5,8-dione has a molecular weight of 364.28 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-6-methoxy-2-[3-(trifluoromethoxy)phenyl]quinoline-5,8-dione is sourced from PubChem (CID 146443970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).