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

C104H100F13N15O13 — CID 158340080

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

4-(3,4-dimethoxyphenyl)-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;methane;4-(4-methoxy-3-methylphenyl)-7-[[4-(1,1,1-trifluoro-2-hydroxybutan-2-yl)imidazol-1-yl]methyl]quinoline-2-carboxamide;1-[4-(4-methoxyphenyl)-7-[[4-(1,1,1-trifluoro-2-hydroxybutan-2-yl)imidazol-1-yl]methyl]quinolin-2-yl]ethanone (PubChem CID 158340080) has the molecular formula C104H100F13N15O13 and a molecular weight of 2015.01 g/mol. Its IUPAC name is 4-(3,4-dimethoxyphenyl)-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;methane;4-(4-methoxy-3-methylphenyl)-7-[[4-(1,1,1-trifluoro-2-hydroxybutan-2-yl)imidazol-1-yl]methyl]quinoline-2-carboxamide;1-[4-(4-methoxyphenyl)-7-[[4-(1,1,1-trifluoro-2-hydroxybutan-2-yl)imidazol-1-yl]methyl]quinolin-2-yl]ethanone.

Molecular Properties

• Compound Name: 4-(3,4-dimethoxyphenyl)-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;methane;4-(4-methoxy-3-methylphenyl)-7-[[4-(1,1,1-trifluoro-2-hydroxybutan-2-yl)imidazol-1-yl]methyl]quinoline-2-carboxamide;1-[4-(4-methoxyphenyl)-7-[[4-(1,1,1-trifluoro-2-hydroxybutan-2-yl)imidazol-1-yl]methyl]quinolin-2-yl]ethanone
• PubChem CID: 158340080
• Molecular Formula: C104H100F13N15O13
• Molecular Weight: 2015.01 g/mol
• Exact Mass: 2013.74
• IUPAC Name: 4-(3,4-dimethoxyphenyl)-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;methane;4-(4-methoxy-3-methylphenyl)-7-[[4-(1,1,1-trifluoro-2-hydroxybutan-2-yl)imidazol-1-yl]methyl]quinoline-2-carboxamide;1-[4-(4-methoxyphenyl)-7-[[4-(1,1,1-trifluoro-2-hydroxybutan-2-yl)imidazol-1-yl]methyl]quinolin-2-yl]ethanone
• SMILES: C.CCC(O)(c1cn(Cc2ccc3c(-c4ccc(OC)c(C)c4)cc(C(N)=O)nc3c2)cn1)C(F)(F)F.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)c(OC)c4)cc(C(N)=O)nc3c2)cn1)C(F)(F)F.CCC(O)(c1cn(Cc2ccc3c(-c4ccc(OC)cc4)cc(C(C)=O)nc3c2)cn1)C(F)(F)F
• InChI: InChI=1S/C26H25F3N4O4.C26H25F3N4O3.C26H24F3N3O3.C25H22F4N4O3.CH4/c1-4-25(35,26(27,28)29)23-13-33(14-31-23)12-15-5-7-17-18(11-20(24(30)34)32-19(17)9-15)16-6-8-21(36-2)22(10-16)37-3;1-4-25(35,26(27,28)29)23-13-33(14-31-23)12-16-5-7-18-19(11-21(24(30)34)32-20(18)10-16)17-6-8-22(36-3)15(2)9-17;1-4-25(34,26(27,28)29)24-14-32(15-30-24)13-17-5-10-20-21(18-6-8-19(35-3)9-7-18)12-22(16(2)33)31-23(20)11-17;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,(H2,30,34);5-11,13-14,35H,4,12H2,1-3H3,(H2,30,34);5-12,14-15,34H,4,13H2,1-3H3;4-10,12-13,35H,3,11H2,1-2H3,(H2,30,34);1H4
• InChIKey: GRAZGDCIDHDMAV-UHFFFAOYSA-N
• XLogP: 19.85
• TPSA: 396.25 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 25
• Rotatable Bonds: 29
• Heavy Atoms: 145
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2015.01
LogP ≤ 5	19.85
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	25

Frequently Asked Questions

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

The IUPAC name of 4-(3,4-dimethoxyphenyl)-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;methane;4-(4-methoxy-3-methylphenyl)-7-[[4-(1,1,1-trifluoro-2-hydroxybutan-2-yl)imidazol-1-yl]methyl]quinoline-2-carboxamide;1-[4-(4-methoxyphenyl)-7-[[4-(1,1,1-trifluoro-2-hydroxybutan-2-yl)imidazol-1-yl]methyl]quinolin-2-yl]ethanone (CID 158340080) is 4-(3,4-dimethoxyphenyl)-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;methane;4-(4-methoxy-3-methylphenyl)-7-[[4-(1,1,1-trifluoro-2-hydroxybutan-2-yl)imidazol-1-yl]methyl]quinoline-2-carboxamide;1-[4-(4-methoxyphenyl)-7-[[4-(1,1,1-trifluoro-2-hydroxybutan-2-yl)imidazol-1-yl]methyl]quinolin-2-yl]ethanone.

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

The canonical SMILES for 4-(3,4-dimethoxyphenyl)-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;methane;4-(4-methoxy-3-methylphenyl)-7-[[4-(1,1,1-trifluoro-2-hydroxybutan-2-yl)imidazol-1-yl]methyl]quinoline-2-carboxamide;1-[4-(4-methoxyphenyl)-7-[[4-(1,1,1-trifluoro-2-hydroxybutan-2-yl)imidazol-1-yl]methyl]quinolin-2-yl]ethanone is C.CCC(O)(c1cn(Cc2ccc3c(-c4ccc(OC)c(C)c4)cc(C(N)=O)nc3c2)cn1)C(F)(F)F.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)c(OC)c4)cc(C(N)=O)nc3c2)cn1)C(F)(F)F.CCC(O)(c1cn(Cc2ccc3c(-c4ccc(OC)cc4)cc(C(C)=O)nc3c2)cn1)C(F)(F)F.

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

The InChIKey is GRAZGDCIDHDMAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25F3N4O4.C26H25F3N4O3.C26H24F3N3O3.C25H22F4N4O3.CH4/c1-4-25(35,26(27,28)29)23-13-33(14-31-23)12-15-5-7-17-18(11-20(24(30)34)32-19(17)9-15)16-6-8-21(36-2)22(10-16)37-3;1-4-25(35,26(27,28)29)23-13-33(14-31-23)12-16-5-7-18-19(11-21(24(30)34)32-20(18)10-16)17-6-8-22(36-3)15(2)9-17;1-4-25(34,26(27,28)29)24-14-32(15-30-24)13-17-5-10-20-21(18-6-8-19(35-3)9-7-18)12-22(16(2)33)31-23(20)11-17;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,(H2,30,34);5-11,13-14,35H,4,12H2,1-3H3,(H2,30,34);5-12,14-15,34H,4,13H2,1-3H3;4-10,12-13,35H,3,11H2,1-2H3,(H2,30,34);1H4.

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

4-(3,4-dimethoxyphenyl)-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;methane;4-(4-methoxy-3-methylphenyl)-7-[[4-(1,1,1-trifluoro-2-hydroxybutan-2-yl)imidazol-1-yl]methyl]quinoline-2-carboxamide;1-[4-(4-methoxyphenyl)-7-[[4-(1,1,1-trifluoro-2-hydroxybutan-2-yl)imidazol-1-yl]methyl]quinolin-2-yl]ethanone has a molecular weight of 2015.01 g/mol, XLogP of 19.85, 29 rotatable bonds, 7 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(3,4-dimethoxyphenyl)-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;methane;4-(4-methoxy-3-methylphenyl)-7-[[4-(1,1,1-trifluoro-2-hydroxybutan-2-yl)imidazol-1-yl]methyl]quinoline-2-carboxamide;1-[4-(4-methoxyphenyl)-7-[[4-(1,1,1-trifluoro-2-hydroxybutan-2-yl)imidazol-1-yl]methyl]quinolin-2-yl]ethanone is sourced from PubChem (CID 158340080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).