6-(3-fluoro-7-methoxyquinolin-4-yl)oxy-N-[3-(trifluoromethyl)phenyl]naphthalene-1-carboxamide;methoxymethane

C30H24F4N2O4 — CID 143083690

IUPAC6-(3-fluoro-7-methoxyquinolin-4-yl)oxy-N-[3-(trifluoromethyl)phenyl]naphthalene-1-carboxamide;methoxymethane
SMILESCOC.COc1ccc2c(Oc3ccc4c(C(=O)Nc5cccc(C(F)(F)F)c5)cccc4c3)c(F)cnc2c1
InChIInChI=1S/C28H18F4N2O3.C2H6O/c1-36-19-8-11-23-25(14-19)33-15-24(29)26(23)37-20-9-10-21-16(12-20)4-2-7-22(21)27(35)34-18-6-3-5-17(13-18)28(30,31)32;1-3-2/h2-15H,1H3,(H,34,35);1-2H3
InChIKeyPDSLBIFVCIQMJM-UHFFFAOYSA-N
MW552.52 g/mol
LogP7.86
Rot. Bonds5

About 6-(3-fluoro-7-methoxyquinolin-4-yl)oxy-N-[3-(trifluoromethyl)phenyl]naphthalene-1-carboxamide;methoxymethane

6-(3-fluoro-7-methoxyquinolin-4-yl)oxy-N-[3-(trifluoromethyl)phenyl]naphthalene-1-carboxamide;methoxymethane (PubChem CID 143083690) has the molecular formula C30H24F4N2O4 and a molecular weight of 552.52 g/mol. Its IUPAC name is 6-(3-fluoro-7-methoxyquinolin-4-yl)oxy-N-[3-(trifluoromethyl)phenyl]naphthalene-1-carboxamide;methoxymethane.

Molecular Properties

Compound Name6-(3-fluoro-7-methoxyquinolin-4-yl)oxy-N-[3-(trifluoromethyl)phenyl]naphthalene-1-carboxamide;methoxymethane
PubChem CID143083690
Molecular FormulaC30H24F4N2O4
Molecular Weight552.52 g/mol
Exact Mass552.17
IUPAC Name6-(3-fluoro-7-methoxyquinolin-4-yl)oxy-N-[3-(trifluoromethyl)phenyl]naphthalene-1-carboxamide;methoxymethane
SMILESCOC.COc1ccc2c(Oc3ccc4c(C(=O)Nc5cccc(C(F)(F)F)c5)cccc4c3)c(F)cnc2c1
InChIInChI=1S/C28H18F4N2O3.C2H6O/c1-36-19-8-11-23-25(14-19)33-15-24(29)26(23)37-20-9-10-21-16(12-20)4-2-7-22(21)27(35)34-18-6-3-5-17(13-18)28(30,31)32;1-3-2/h2-15H,1H3,(H,34,35);1-2H3
InChIKeyPDSLBIFVCIQMJM-UHFFFAOYSA-N
XLogP7.86
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500552.52
LogP ≤ 57.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(3-fluoro-7-methoxyquinolin-4-yl)oxy-N-[3-(trifluoromethyl)phenyl]naphthalene-1-carboxamide;methoxymethane?
The IUPAC name of 6-(3-fluoro-7-methoxyquinolin-4-yl)oxy-N-[3-(trifluoromethyl)phenyl]naphthalene-1-carboxamide;methoxymethane (CID 143083690) is 6-(3-fluoro-7-methoxyquinolin-4-yl)oxy-N-[3-(trifluoromethyl)phenyl]naphthalene-1-carboxamide;methoxymethane.
What is the SMILES notation for 6-(3-fluoro-7-methoxyquinolin-4-yl)oxy-N-[3-(trifluoromethyl)phenyl]naphthalene-1-carboxamide;methoxymethane?
The canonical SMILES for 6-(3-fluoro-7-methoxyquinolin-4-yl)oxy-N-[3-(trifluoromethyl)phenyl]naphthalene-1-carboxamide;methoxymethane is COC.COc1ccc2c(Oc3ccc4c(C(=O)Nc5cccc(C(F)(F)F)c5)cccc4c3)c(F)cnc2c1.
What is the InChIKey of 6-(3-fluoro-7-methoxyquinolin-4-yl)oxy-N-[3-(trifluoromethyl)phenyl]naphthalene-1-carboxamide;methoxymethane?
The InChIKey is PDSLBIFVCIQMJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H18F4N2O3.C2H6O/c1-36-19-8-11-23-25(14-19)33-15-24(29)26(23)37-20-9-10-21-16(12-20)4-2-7-22(21)27(35)34-18-6-3-5-17(13-18)28(30,31)32;1-3-2/h2-15H,1H3,(H,34,35);1-2H3.
What are the key properties of 6-(3-fluoro-7-methoxyquinolin-4-yl)oxy-N-[3-(trifluoromethyl)phenyl]naphthalene-1-carboxamide;methoxymethane?
6-(3-fluoro-7-methoxyquinolin-4-yl)oxy-N-[3-(trifluoromethyl)phenyl]naphthalene-1-carboxamide;methoxymethane has a molecular weight of 552.52 g/mol, XLogP of 7.86, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-fluoro-7-methoxyquinolin-4-yl)oxy-N-[3-(trifluoromethyl)phenyl]naphthalene-1-carboxamide;methoxymethane is sourced from PubChem (CID 143083690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).