4-(2-fluoro-4-methoxyphenyl)-7-[[4-(1,1,1-trifluoro-2-hydroxybutan-2-yl)imidazol-1-yl]methyl]quinoline-2-carboxamide;4-(3-fluoro-4-methoxyphenyl)-7-[[4-(1,1,1-trifluoro-2-hydroxybutan-2-yl)imidazol-1-yl]methyl]quinoline-2-carboxamide;1-[4-(2-fluoro-4-methoxyphenyl)-7-[[4-(1,1,1-trifluoro-2-hydroxybutan-2-yl)imidazol-1-yl]methyl]quinolin-2-yl]ethanone;methane

C77H71F12N11O9 — CID 158186238

About 4-(2-fluoro-4-methoxyphenyl)-7-[[4-(1,1,1-trifluoro-2-hydroxybutan-2-yl)imidazol-1-yl]methyl]quinoline-2-carboxamide;4-(3-fluoro-4-methoxyphenyl)-7-[[4-(1,1,1-trifluoro-2-hydroxybutan-2-yl)imidazol-1-yl]methyl]quinoline-2-carboxamide;1-[4-(2-fluoro-4-methoxyphenyl)-7-[[4-(1,1,1-trifluoro-2-hydroxybutan-2-yl)imidazol-1-yl]methyl]quinolin-2-yl]ethanone;methane

4-(2-fluoro-4-methoxyphenyl)-7-[[4-(1,1,1-trifluoro-2-hydroxybutan-2-yl)imidazol-1-yl]methyl]quinoline-2-carboxamide;4-(3-fluoro-4-methoxyphenyl)-7-[[4-(1,1,1-trifluoro-2-hydroxybutan-2-yl)imidazol-1-yl]methyl]quinoline-2-carboxamide;1-[4-(2-fluoro-4-methoxyphenyl)-7-[[4-(1,1,1-trifluoro-2-hydroxybutan-2-yl)imidazol-1-yl]methyl]quinolin-2-yl]ethanone;methane (PubChem CID 158186238) has the molecular formula C77H71F12N11O9 and a molecular weight of 1522.46 g/mol. Its IUPAC name is 4-(2-fluoro-4-methoxyphenyl)-7-[[4-(1,1,1-trifluoro-2-hydroxybutan-2-yl)imidazol-1-yl]methyl]quinoline-2-carboxamide;4-(3-fluoro-4-methoxyphenyl)-7-[[4-(1,1,1-trifluoro-2-hydroxybutan-2-yl)imidazol-1-yl]methyl]quinoline-2-carboxamide;1-[4-(2-fluoro-4-methoxyphenyl)-7-[[4-(1,1,1-trifluoro-2-hydroxybutan-2-yl)imidazol-1-yl]methyl]quinolin-2-yl]ethanone;methane.

Molecular Properties

• Compound Name: 4-(2-fluoro-4-methoxyphenyl)-7-[[4-(1,1,1-trifluoro-2-hydroxybutan-2-yl)imidazol-1-yl]methyl]quinoline-2-carboxamide;4-(3-fluoro-4-methoxyphenyl)-7-[[4-(1,1,1-trifluoro-2-hydroxybutan-2-yl)imidazol-1-yl]methyl]quinoline-2-carboxamide;1-[4-(2-fluoro-4-methoxyphenyl)-7-[[4-(1,1,1-trifluoro-2-hydroxybutan-2-yl)imidazol-1-yl]methyl]quinolin-2-yl]ethanone;methane
• PubChem CID: 158186238
• Molecular Formula: C77H71F12N11O9
• Molecular Weight: 1522.46 g/mol
• Exact Mass: 1521.52
• IUPAC Name: 4-(2-fluoro-4-methoxyphenyl)-7-[[4-(1,1,1-trifluoro-2-hydroxybutan-2-yl)imidazol-1-yl]methyl]quinoline-2-carboxamide;4-(3-fluoro-4-methoxyphenyl)-7-[[4-(1,1,1-trifluoro-2-hydroxybutan-2-yl)imidazol-1-yl]methyl]quinoline-2-carboxamide;1-[4-(2-fluoro-4-methoxyphenyl)-7-[[4-(1,1,1-trifluoro-2-hydroxybutan-2-yl)imidazol-1-yl]methyl]quinolin-2-yl]ethanone;methane
• SMILES: C.CCC(O)(c1cn(Cc2ccc3c(-c4ccc(OC)c(F)c4)cc(C(N)=O)nc3c2)cn1)C(F)(F)F.CCC(O)(c1cn(Cc2ccc3c(-c4ccc(OC)cc4F)cc(C(C)=O)nc3c2)cn1)C(F)(F)F.CCC(O)(c1cn(Cc2ccc3c(-c4ccc(OC)cc4F)cc(C(N)=O)nc3c2)cn1)C(F)(F)F
• InChI: InChI=1S/C26H23F4N3O3.2C25H22F4N4O3.CH4/c1-4-25(35,26(28,29)30)24-13-33(14-31-24)12-16-5-7-19-20(11-22(15(2)34)32-23(19)9-16)18-8-6-17(36-3)10-21(18)27;1-3-24(35,25(27,28)29)22-12-33(13-31-22)11-14-4-6-17-18(10-21(23(30)34)32-20(17)8-14)16-7-5-15(36-2)9-19(16)26;1-3-24(35,25(27,28)29)22-12-33(13-31-22)11-14-4-6-16-17(10-20(23(30)34)32-19(16)8-14)15-5-7-21(36-2)18(26)9-15;/h5-11,13-14,35H,4,12H2,1-3H3;2*4-10,12-13,35H,3,11H2,1-2H3,(H2,30,34);1H4
• InChIKey: FZEBHGZOTUFTBN-UHFFFAOYSA-N
• XLogP: 15.40
• TPSA: 283.76 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 18
• Rotatable Bonds: 21
• Heavy Atoms: 109
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1522.46
LogP ≤ 5	15.40
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	18

Frequently Asked Questions

What is the IUPAC name of 4-(2-fluoro-4-methoxyphenyl)-7-[[4-(1,1,1-trifluoro-2-hydroxybutan-2-yl)imidazol-1-yl]methyl]quinoline-2-carboxamide;4-(3-fluoro-4-methoxyphenyl)-7-[[4-(1,1,1-trifluoro-2-hydroxybutan-2-yl)imidazol-1-yl]methyl]quinoline-2-carboxamide;1-[4-(2-fluoro-4-methoxyphenyl)-7-[[4-(1,1,1-trifluoro-2-hydroxybutan-2-yl)imidazol-1-yl]methyl]quinolin-2-yl]ethanone;methane?

The IUPAC name of 4-(2-fluoro-4-methoxyphenyl)-7-[[4-(1,1,1-trifluoro-2-hydroxybutan-2-yl)imidazol-1-yl]methyl]quinoline-2-carboxamide;4-(3-fluoro-4-methoxyphenyl)-7-[[4-(1,1,1-trifluoro-2-hydroxybutan-2-yl)imidazol-1-yl]methyl]quinoline-2-carboxamide;1-[4-(2-fluoro-4-methoxyphenyl)-7-[[4-(1,1,1-trifluoro-2-hydroxybutan-2-yl)imidazol-1-yl]methyl]quinolin-2-yl]ethanone;methane (CID 158186238) is 4-(2-fluoro-4-methoxyphenyl)-7-[[4-(1,1,1-trifluoro-2-hydroxybutan-2-yl)imidazol-1-yl]methyl]quinoline-2-carboxamide;4-(3-fluoro-4-methoxyphenyl)-7-[[4-(1,1,1-trifluoro-2-hydroxybutan-2-yl)imidazol-1-yl]methyl]quinoline-2-carboxamide;1-[4-(2-fluoro-4-methoxyphenyl)-7-[[4-(1,1,1-trifluoro-2-hydroxybutan-2-yl)imidazol-1-yl]methyl]quinolin-2-yl]ethanone;methane.

What is the SMILES notation for 4-(2-fluoro-4-methoxyphenyl)-7-[[4-(1,1,1-trifluoro-2-hydroxybutan-2-yl)imidazol-1-yl]methyl]quinoline-2-carboxamide;4-(3-fluoro-4-methoxyphenyl)-7-[[4-(1,1,1-trifluoro-2-hydroxybutan-2-yl)imidazol-1-yl]methyl]quinoline-2-carboxamide;1-[4-(2-fluoro-4-methoxyphenyl)-7-[[4-(1,1,1-trifluoro-2-hydroxybutan-2-yl)imidazol-1-yl]methyl]quinolin-2-yl]ethanone;methane?

The canonical SMILES for 4-(2-fluoro-4-methoxyphenyl)-7-[[4-(1,1,1-trifluoro-2-hydroxybutan-2-yl)imidazol-1-yl]methyl]quinoline-2-carboxamide;4-(3-fluoro-4-methoxyphenyl)-7-[[4-(1,1,1-trifluoro-2-hydroxybutan-2-yl)imidazol-1-yl]methyl]quinoline-2-carboxamide;1-[4-(2-fluoro-4-methoxyphenyl)-7-[[4-(1,1,1-trifluoro-2-hydroxybutan-2-yl)imidazol-1-yl]methyl]quinolin-2-yl]ethanone;methane is C.CCC(O)(c1cn(Cc2ccc3c(-c4ccc(OC)c(F)c4)cc(C(N)=O)nc3c2)cn1)C(F)(F)F.CCC(O)(c1cn(Cc2ccc3c(-c4ccc(OC)cc4F)cc(C(C)=O)nc3c2)cn1)C(F)(F)F.CCC(O)(c1cn(Cc2ccc3c(-c4ccc(OC)cc4F)cc(C(N)=O)nc3c2)cn1)C(F)(F)F.

What is the InChIKey of 4-(2-fluoro-4-methoxyphenyl)-7-[[4-(1,1,1-trifluoro-2-hydroxybutan-2-yl)imidazol-1-yl]methyl]quinoline-2-carboxamide;4-(3-fluoro-4-methoxyphenyl)-7-[[4-(1,1,1-trifluoro-2-hydroxybutan-2-yl)imidazol-1-yl]methyl]quinoline-2-carboxamide;1-[4-(2-fluoro-4-methoxyphenyl)-7-[[4-(1,1,1-trifluoro-2-hydroxybutan-2-yl)imidazol-1-yl]methyl]quinolin-2-yl]ethanone;methane?

The InChIKey is FZEBHGZOTUFTBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23F4N3O3.2C25H22F4N4O3.CH4/c1-4-25(35,26(28,29)30)24-13-33(14-31-24)12-16-5-7-19-20(11-22(15(2)34)32-23(19)9-16)18-8-6-17(36-3)10-21(18)27;1-3-24(35,25(27,28)29)22-12-33(13-31-22)11-14-4-6-17-18(10-21(23(30)34)32-20(17)8-14)16-7-5-15(36-2)9-19(16)26;1-3-24(35,25(27,28)29)22-12-33(13-31-22)11-14-4-6-16-17(10-20(23(30)34)32-19(16)8-14)15-5-7-21(36-2)18(26)9-15;/h5-11,13-14,35H,4,12H2,1-3H3;2*4-10,12-13,35H,3,11H2,1-2H3,(H2,30,34);1H4.

What are the key properties of 4-(2-fluoro-4-methoxyphenyl)-7-[[4-(1,1,1-trifluoro-2-hydroxybutan-2-yl)imidazol-1-yl]methyl]quinoline-2-carboxamide;4-(3-fluoro-4-methoxyphenyl)-7-[[4-(1,1,1-trifluoro-2-hydroxybutan-2-yl)imidazol-1-yl]methyl]quinoline-2-carboxamide;1-[4-(2-fluoro-4-methoxyphenyl)-7-[[4-(1,1,1-trifluoro-2-hydroxybutan-2-yl)imidazol-1-yl]methyl]quinolin-2-yl]ethanone;methane?

4-(2-fluoro-4-methoxyphenyl)-7-[[4-(1,1,1-trifluoro-2-hydroxybutan-2-yl)imidazol-1-yl]methyl]quinoline-2-carboxamide;4-(3-fluoro-4-methoxyphenyl)-7-[[4-(1,1,1-trifluoro-2-hydroxybutan-2-yl)imidazol-1-yl]methyl]quinoline-2-carboxamide;1-[4-(2-fluoro-4-methoxyphenyl)-7-[[4-(1,1,1-trifluoro-2-hydroxybutan-2-yl)imidazol-1-yl]methyl]quinolin-2-yl]ethanone;methane has a molecular weight of 1522.46 g/mol, XLogP of 15.40, 21 rotatable bonds, 5 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(2-fluoro-4-methoxyphenyl)-7-[[4-(1,1,1-trifluoro-2-hydroxybutan-2-yl)imidazol-1-yl]methyl]quinoline-2-carboxamide;4-(3-fluoro-4-methoxyphenyl)-7-[[4-(1,1,1-trifluoro-2-hydroxybutan-2-yl)imidazol-1-yl]methyl]quinoline-2-carboxamide;1-[4-(2-fluoro-4-methoxyphenyl)-7-[[4-(1,1,1-trifluoro-2-hydroxybutan-2-yl)imidazol-1-yl]methyl]quinolin-2-yl]ethanone;methane is sourced from PubChem (CID 158186238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).