N-[3-fluoro-4-(3-fluoro-6,7-dimethoxyquinolin-4-yl)oxyphenyl]-1-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-2-oxo-6-(trifluoromethyl)pyridine-3-carboxamide

C31H20F8N4O5 — CID 177004483

IUPACN-[3-fluoro-4-(3-fluoro-6,7-dimethoxyquinolin-4-yl)oxyphenyl]-1-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-2-oxo-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESCOc1cc2ncc(F)c(Oc3ccc(NC(=O)c4ccc(C(F)(F)F)n(-c5cnc(C(F)(F)F)cc5C)c4=O)cc3F)c2cc1OC
InChIInChI=1S/C31H20F8N4O5/c1-14-8-25(30(34,35)36)41-13-21(14)43-26(31(37,38)39)7-5-16(29(43)45)28(44)42-15-4-6-22(18(32)9-15)48-27-17-10-23(46-2)24(47-3)11-20(17)40-12-19(27)33/h4-13H,1-3H3,(H,42,44)
InChIKeyOKCDSYKOOPQHPA-UHFFFAOYSA-N
MW680.51 g/mol
LogP7.47
Rot. Bonds7

About N-[3-fluoro-4-(3-fluoro-6,7-dimethoxyquinolin-4-yl)oxyphenyl]-1-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-2-oxo-6-(trifluoromethyl)pyridine-3-carboxamide

N-[3-fluoro-4-(3-fluoro-6,7-dimethoxyquinolin-4-yl)oxyphenyl]-1-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-2-oxo-6-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 177004483) has the molecular formula C31H20F8N4O5 and a molecular weight of 680.51 g/mol. Its IUPAC name is N-[3-fluoro-4-(3-fluoro-6,7-dimethoxyquinolin-4-yl)oxyphenyl]-1-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-2-oxo-6-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-fluoro-4-(3-fluoro-6,7-dimethoxyquinolin-4-yl)oxyphenyl]-1-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-2-oxo-6-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID177004483
Molecular FormulaC31H20F8N4O5
Molecular Weight680.51 g/mol
Exact Mass680.13
IUPAC NameN-[3-fluoro-4-(3-fluoro-6,7-dimethoxyquinolin-4-yl)oxyphenyl]-1-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-2-oxo-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESCOc1cc2ncc(F)c(Oc3ccc(NC(=O)c4ccc(C(F)(F)F)n(-c5cnc(C(F)(F)F)cc5C)c4=O)cc3F)c2cc1OC
InChIInChI=1S/C31H20F8N4O5/c1-14-8-25(30(34,35)36)41-13-21(14)43-26(31(37,38)39)7-5-16(29(43)45)28(44)42-15-4-6-22(18(32)9-15)48-27-17-10-23(46-2)24(47-3)11-20(17)40-12-19(27)33/h4-13H,1-3H3,(H,42,44)
InChIKeyOKCDSYKOOPQHPA-UHFFFAOYSA-N
XLogP7.47
TPSA104.57 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500680.51
LogP ≤ 57.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[3-fluoro-4-(3-fluoro-6,7-dimethoxyquinolin-4-yl)oxyphenyl]-1-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-2-oxo-6-(trifluoromethyl)pyridine-3-carboxamide with MolForge

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Related Compounds

6-cyclopropyl-N-[3-fluoro-4-(3-fluoro-6,7-dimethoxyquinolin-4-yl)oxyphenyl]-1-(4-methyl-6-oxo-1H-pyridin-3-yl)-2-oxopyridine-3-carboxamide
CID 177004471
N-[5-fluoro-6-[(3-fluoro-6,7-dimethoxy-1,5-naphthyridin-4-yl)oxy]-3-pyridinyl]-1-(4-methoxy-2-methylphenyl)-2-oxo-6-(trifluoromethyl)pyridine-3-carboxamide
CID 177004491
1-(2-chloro-4-methoxyphenyl)-N-[4-[(6,7-dimethoxy-1,5-naphthyridin-4-yl)oxy]-3-fluorophenyl]-2-oxo-6-(trifluoromethyl)pyridine-3-carboxamide
CID 177004449
6-cyclopropyl-N-[4-(6,7-dimethoxyquinolin-4-yl)sulfanyl-3-fluorophenyl]-1-(6-methoxy-4-methyl-3-pyridinyl)-2-oxopyridine-3-carboxamide
CID 177004458
N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]-1-(4-fluorophenyl)-5-methyl-6-(methylaminomethyl)-2-oxopyridine-3-carboxamide
CID 146432134
1-(2-chloro-4-methoxyphenyl)-N-[6-[(6,7-dimethoxy-1,5-naphthyridin-4-yl)oxy]-5-fluoro-3-pyridinyl]-2-oxo-6-(trifluoromethyl)pyridine-3-carboxamide
CID 177004597
N-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluorophenyl]-1-(4-fluorophenyl)-2-oxo-6-(trifluoromethyl)pyridine-3-carboxamide
CID 167268113
N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]-2,4-dioxo-3-phenyl-1-propan-2-ylpyrimidine-5-carboxamide
CID 71576566
N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]-3-(4-fluorophenyl)-2,4-dioxo-1-propylpyrimidine-5-carboxamide
CID 71576420
N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]-3-(4-fluorophenyl)-1-(2-methylpropyl)-2,4-dioxopyrimidine-5-carboxamide
CID 90452587
N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]-1-[1-(dimethylamino)-1,3-dioxobutan-2-yl]-3-(4-fluorophenyl)-2,4-dioxopyrimidine-5-carboxamide
CID 90452655
6,7-dimethoxy-4-methylquinoline;ethane;N-(3-fluoro-4-methylphenyl)acetamide
CID 143647657

Frequently Asked Questions

What is the IUPAC name of N-[3-fluoro-4-(3-fluoro-6,7-dimethoxyquinolin-4-yl)oxyphenyl]-1-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-2-oxo-6-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of N-[3-fluoro-4-(3-fluoro-6,7-dimethoxyquinolin-4-yl)oxyphenyl]-1-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-2-oxo-6-(trifluoromethyl)pyridine-3-carboxamide (CID 177004483) is N-[3-fluoro-4-(3-fluoro-6,7-dimethoxyquinolin-4-yl)oxyphenyl]-1-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-2-oxo-6-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for N-[3-fluoro-4-(3-fluoro-6,7-dimethoxyquinolin-4-yl)oxyphenyl]-1-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-2-oxo-6-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for N-[3-fluoro-4-(3-fluoro-6,7-dimethoxyquinolin-4-yl)oxyphenyl]-1-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-2-oxo-6-(trifluoromethyl)pyridine-3-carboxamide is COc1cc2ncc(F)c(Oc3ccc(NC(=O)c4ccc(C(F)(F)F)n(-c5cnc(C(F)(F)F)cc5C)c4=O)cc3F)c2cc1OC.
What is the InChIKey of N-[3-fluoro-4-(3-fluoro-6,7-dimethoxyquinolin-4-yl)oxyphenyl]-1-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-2-oxo-6-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is OKCDSYKOOPQHPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H20F8N4O5/c1-14-8-25(30(34,35)36)41-13-21(14)43-26(31(37,38)39)7-5-16(29(43)45)28(44)42-15-4-6-22(18(32)9-15)48-27-17-10-23(46-2)24(47-3)11-20(17)40-12-19(27)33/h4-13H,1-3H3,(H,42,44).
What are the key properties of N-[3-fluoro-4-(3-fluoro-6,7-dimethoxyquinolin-4-yl)oxyphenyl]-1-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-2-oxo-6-(trifluoromethyl)pyridine-3-carboxamide?
N-[3-fluoro-4-(3-fluoro-6,7-dimethoxyquinolin-4-yl)oxyphenyl]-1-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-2-oxo-6-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 680.51 g/mol, XLogP of 7.47, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-fluoro-4-(3-fluoro-6,7-dimethoxyquinolin-4-yl)oxyphenyl]-1-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-2-oxo-6-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 177004483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).