2-[4-[4-(dimethylamino)phenyl]phenyl]-6-fluoroquinoline-4-carboxylic acid;2-[4-[4-(ethylamino)phenyl]phenyl]-6-fluoroquinoline-4-carboxylic acid;6-fluoro-2-[4-[3-(methoxymethyl)phenyl]phenyl]quinoline-4-carboxylic acid;6-fluoro-2-[4-[4-(methylamino)phenyl]phenyl]quinoline-4-carboxylic acid;6-fluoro-2-[4-(3-propylphenyl)phenyl]quinoline-4-carboxylic acid;2-[4-(4-methoxyphenyl)phenyl]-6-methylquinoline-4-carboxylic acid

C144H112F5N9O14 — CID 158674138

IUPAC2-[4-[4-(dimethylamino)phenyl]phenyl]-6-fluoroquinoline-4-carboxylic acid;2-[4-[4-(ethylamino)phenyl]phenyl]-6-fluoroquinoline-4-carboxylic acid;6-fluoro-2-[4-[3-(methoxymethyl)phenyl]phenyl]quinoline-4-carboxylic acid;6-fluoro-2-[4-[4-(methylamino)phenyl]phenyl]quinoline-4-carboxylic acid;6-fluoro-2-[4-(3-propylphenyl)phenyl]quinoline-4-carboxylic acid;2-[4-(4-methoxyphenyl)phenyl]-6-methylquinoline-4-carboxylic acid
SMILESCCCc1cccc(-c2ccc(-c3cc(C(=O)O)c4cc(F)ccc4n3)cc2)c1.CCNc1ccc(-c2ccc(-c3cc(C(=O)O)c4cc(F)ccc4n3)cc2)cc1.CN(C)c1ccc(-c2ccc(-c3cc(C(=O)O)c4cc(F)ccc4n3)cc2)cc1.CNc1ccc(-c2ccc(-c3cc(C(=O)O)c4cc(F)ccc4n3)cc2)cc1.COCc1cccc(-c2ccc(-c3cc(C(=O)O)c4cc(F)ccc4n3)cc2)c1.COc1ccc(-c2ccc(-c3cc(C(=O)O)c4cc(C)ccc4n3)cc2)cc1
InChIInChI=1S/C25H20FNO2.2C24H19FN2O2.C24H18FNO3.C24H19NO3.C23H17FN2O2/c1-2-4-16-5-3-6-19(13-16)17-7-9-18(10-8-17)24-15-22(25(28)29)21-14-20(26)11-12-23(21)27-24;1-27(2)19-10-7-16(8-11-19)15-3-5-17(6-4-15)23-14-21(24(28)29)20-13-18(25)9-12-22(20)26-23;1-2-26-19-10-7-16(8-11-19)15-3-5-17(6-4-15)23-14-21(24(28)29)20-13-18(25)9-12-22(20)27-23;1-29-14-15-3-2-4-18(11-15)16-5-7-17(8-6-16)23-13-21(24(27)28)20-12-19(25)9-10-22(20)26-23;1-15-3-12-22-20(13-15)21(24(26)27)14-23(25-22)18-6-4-16(5-7-18)17-8-10-19(28-2)11-9-17;1-25-18-9-6-15(7-10-18)14-2-4-16(5-3-14)22-13-20(23(27)28)19-12-17(24)8-11-21(19)26-22/h3,5-15H,2,4H2,1H3,(H,28,29);3-14H,1-2H3,(H,28,29);3-14,26H,2H2,1H3,(H,28,29);2-13H,14H2,1H3,(H,27,28);3-14H,1-2H3,(H,26,27);2-13,25H,1H3,(H,27,28)
InChIKeyIEHQQAAIYZRHDL-UHFFFAOYSA-N
MW2287.52 g/mol
LogP34.25
Rot. Bonds27

About 2-[4-[4-(dimethylamino)phenyl]phenyl]-6-fluoroquinoline-4-carboxylic acid;2-[4-[4-(ethylamino)phenyl]phenyl]-6-fluoroquinoline-4-carboxylic acid;6-fluoro-2-[4-[3-(methoxymethyl)phenyl]phenyl]quinoline-4-carboxylic acid;6-fluoro-2-[4-[4-(methylamino)phenyl]phenyl]quinoline-4-carboxylic acid;6-fluoro-2-[4-(3-propylphenyl)phenyl]quinoline-4-carboxylic acid;2-[4-(4-methoxyphenyl)phenyl]-6-methylquinoline-4-carboxylic acid

2-[4-[4-(dimethylamino)phenyl]phenyl]-6-fluoroquinoline-4-carboxylic acid;2-[4-[4-(ethylamino)phenyl]phenyl]-6-fluoroquinoline-4-carboxylic acid;6-fluoro-2-[4-[3-(methoxymethyl)phenyl]phenyl]quinoline-4-carboxylic acid;6-fluoro-2-[4-[4-(methylamino)phenyl]phenyl]quinoline-4-carboxylic acid;6-fluoro-2-[4-(3-propylphenyl)phenyl]quinoline-4-carboxylic acid;2-[4-(4-methoxyphenyl)phenyl]-6-methylquinoline-4-carboxylic acid (PubChem CID 158674138) has the molecular formula C144H112F5N9O14 and a molecular weight of 2287.52 g/mol. Its IUPAC name is 2-[4-[4-(dimethylamino)phenyl]phenyl]-6-fluoroquinoline-4-carboxylic acid;2-[4-[4-(ethylamino)phenyl]phenyl]-6-fluoroquinoline-4-carboxylic acid;6-fluoro-2-[4-[3-(methoxymethyl)phenyl]phenyl]quinoline-4-carboxylic acid;6-fluoro-2-[4-[4-(methylamino)phenyl]phenyl]quinoline-4-carboxylic acid;6-fluoro-2-[4-(3-propylphenyl)phenyl]quinoline-4-carboxylic acid;2-[4-(4-methoxyphenyl)phenyl]-6-methylquinoline-4-carboxylic acid.

Molecular Properties

Compound Name2-[4-[4-(dimethylamino)phenyl]phenyl]-6-fluoroquinoline-4-carboxylic acid;2-[4-[4-(ethylamino)phenyl]phenyl]-6-fluoroquinoline-4-carboxylic acid;6-fluoro-2-[4-[3-(methoxymethyl)phenyl]phenyl]quinoline-4-carboxylic acid;6-fluoro-2-[4-[4-(methylamino)phenyl]phenyl]quinoline-4-carboxylic acid;6-fluoro-2-[4-(3-propylphenyl)phenyl]quinoline-4-carboxylic acid;2-[4-(4-methoxyphenyl)phenyl]-6-methylquinoline-4-carboxylic acid
PubChem CID158674138
Molecular FormulaC144H112F5N9O14
Molecular Weight2287.52 g/mol
Exact Mass2285.82
IUPAC Name2-[4-[4-(dimethylamino)phenyl]phenyl]-6-fluoroquinoline-4-carboxylic acid;2-[4-[4-(ethylamino)phenyl]phenyl]-6-fluoroquinoline-4-carboxylic acid;6-fluoro-2-[4-[3-(methoxymethyl)phenyl]phenyl]quinoline-4-carboxylic acid;6-fluoro-2-[4-[4-(methylamino)phenyl]phenyl]quinoline-4-carboxylic acid;6-fluoro-2-[4-(3-propylphenyl)phenyl]quinoline-4-carboxylic acid;2-[4-(4-methoxyphenyl)phenyl]-6-methylquinoline-4-carboxylic acid
SMILESCCCc1cccc(-c2ccc(-c3cc(C(=O)O)c4cc(F)ccc4n3)cc2)c1.CCNc1ccc(-c2ccc(-c3cc(C(=O)O)c4cc(F)ccc4n3)cc2)cc1.CN(C)c1ccc(-c2ccc(-c3cc(C(=O)O)c4cc(F)ccc4n3)cc2)cc1.CNc1ccc(-c2ccc(-c3cc(C(=O)O)c4cc(F)ccc4n3)cc2)cc1.COCc1cccc(-c2ccc(-c3cc(C(=O)O)c4cc(F)ccc4n3)cc2)c1.COc1ccc(-c2ccc(-c3cc(C(=O)O)c4cc(C)ccc4n3)cc2)cc1
InChIInChI=1S/C25H20FNO2.2C24H19FN2O2.C24H18FNO3.C24H19NO3.C23H17FN2O2/c1-2-4-16-5-3-6-19(13-16)17-7-9-18(10-8-17)24-15-22(25(28)29)21-14-20(26)11-12-23(21)27-24;1-27(2)19-10-7-16(8-11-19)15-3-5-17(6-4-15)23-14-21(24(28)29)20-13-18(25)9-12-22(20)26-23;1-2-26-19-10-7-16(8-11-19)15-3-5-17(6-4-15)23-14-21(24(28)29)20-13-18(25)9-12-22(20)27-23;1-29-14-15-3-2-4-18(11-15)16-5-7-17(8-6-16)23-13-21(24(27)28)20-12-19(25)9-10-22(20)26-23;1-15-3-12-22-20(13-15)21(24(26)27)14-23(25-22)18-6-4-16(5-7-18)17-8-10-19(28-2)11-9-17;1-25-18-9-6-15(7-10-18)14-2-4-16(5-3-14)22-13-20(23(27)28)19-12-17(24)8-11-21(19)26-22/h3,5-15H,2,4H2,1H3,(H,28,29);3-14H,1-2H3,(H,28,29);3-14,26H,2H2,1H3,(H,28,29);2-13H,14H2,1H3,(H,27,28);3-14H,1-2H3,(H,26,27);2-13,25H,1H3,(H,27,28)
InChIKeyIEHQQAAIYZRHDL-UHFFFAOYSA-N
XLogP34.25
TPSA346.90 Ų
H-Bond Donors8
H-Bond Acceptors17
Rotatable Bonds27
Heavy Atoms172
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002287.52
LogP ≤ 534.25
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1017

Analyze 2-[4-[4-(dimethylamino)phenyl]phenyl]-6-fluoroquinoline-4-carboxylic acid;2-[4-[4-(ethylamino)phenyl]phenyl]-6-fluoroquinoline-4-carboxylic acid;6-fluoro-2-[4-[3-(methoxymethyl)phenyl]phenyl]quinoline-4-carboxylic acid;6-fluoro-2-[4-[4-(methylamino)phenyl]phenyl]quinoline-4-carboxylic acid;6-fluoro-2-[4-(3-propylphenyl)phenyl]quinoline-4-carboxylic acid;2-[4-(4-methoxyphenyl)phenyl]-6-methylquinoline-4-carboxylic acid with MolForge

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Related Compounds

6-(2-Aminoethyl)-2-[4-[2-fluoro-4-[(2-methylpropan-2-yl)oxy]phenyl]phenyl]-3-methylquinoline-4-carboxylic acid
CID 19708568
Ethane;4-[2-(ethenylamino)butyl]phenol;methyl 6-[3-(1,1-difluoroethyl)phenyl]-2-methylquinoline-4-carboxylate;propane
CID 143413226
2-[4-(4-Ethoxy-2-fluorophenyl)phenyl]-6-(trifluoromethyl)quinoline-4-carboxylic acid
CID 153380346
2-[4-(4-Nonoxyphenyl)phenyl]-6-(trifluoromethyl)quinoline-4-carboxylic acid
CID 153380359
2-[4-(4-Methoxyphenyl)phenyl]-6-(trifluoromethyl)quinoline-4-carboxylic acid
CID 153380365
2-[4-(4-Methoxyphenyl)phenyl]-6-(1,1,2,2,2-pentafluoroethyl)quinoline-4-carboxylic acid
CID 153380423
2-[3-Fluoro-4-(4-nonoxyphenyl)phenyl]-6-(trifluoromethyl)quinoline-4-carboxylic acid
CID 156547338
2-[4-(4-Ethoxy-2-fluorophenyl)-3-fluorophenyl]-6-(trifluoromethyl)quinoline-4-carboxylic acid
CID 156547343
2-[3-Fluoro-4-(4-heptoxyphenyl)phenyl]-6-(trifluoromethyl)quinoline-4-carboxylic acid
CID 156547446
2-[3-Fluoro-4-(4-hexoxyphenyl)phenyl]-6-(trifluoromethyl)quinoline-4-carboxylic acid
CID 156547453
2-[3-Fluoro-4-(4-octoxyphenyl)phenyl]-6-(trifluoromethyl)quinoline-4-carboxylic acid
CID 156547454
2-[3-Fluoro-4-(4-pentoxyphenyl)phenyl]-6-(trifluoromethyl)quinoline-4-carboxylic acid
CID 156547455

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-(dimethylamino)phenyl]phenyl]-6-fluoroquinoline-4-carboxylic acid;2-[4-[4-(ethylamino)phenyl]phenyl]-6-fluoroquinoline-4-carboxylic acid;6-fluoro-2-[4-[3-(methoxymethyl)phenyl]phenyl]quinoline-4-carboxylic acid;6-fluoro-2-[4-[4-(methylamino)phenyl]phenyl]quinoline-4-carboxylic acid;6-fluoro-2-[4-(3-propylphenyl)phenyl]quinoline-4-carboxylic acid;2-[4-(4-methoxyphenyl)phenyl]-6-methylquinoline-4-carboxylic acid?
The IUPAC name of 2-[4-[4-(dimethylamino)phenyl]phenyl]-6-fluoroquinoline-4-carboxylic acid;2-[4-[4-(ethylamino)phenyl]phenyl]-6-fluoroquinoline-4-carboxylic acid;6-fluoro-2-[4-[3-(methoxymethyl)phenyl]phenyl]quinoline-4-carboxylic acid;6-fluoro-2-[4-[4-(methylamino)phenyl]phenyl]quinoline-4-carboxylic acid;6-fluoro-2-[4-(3-propylphenyl)phenyl]quinoline-4-carboxylic acid;2-[4-(4-methoxyphenyl)phenyl]-6-methylquinoline-4-carboxylic acid (CID 158674138) is 2-[4-[4-(dimethylamino)phenyl]phenyl]-6-fluoroquinoline-4-carboxylic acid;2-[4-[4-(ethylamino)phenyl]phenyl]-6-fluoroquinoline-4-carboxylic acid;6-fluoro-2-[4-[3-(methoxymethyl)phenyl]phenyl]quinoline-4-carboxylic acid;6-fluoro-2-[4-[4-(methylamino)phenyl]phenyl]quinoline-4-carboxylic acid;6-fluoro-2-[4-(3-propylphenyl)phenyl]quinoline-4-carboxylic acid;2-[4-(4-methoxyphenyl)phenyl]-6-methylquinoline-4-carboxylic acid.
What is the SMILES notation for 2-[4-[4-(dimethylamino)phenyl]phenyl]-6-fluoroquinoline-4-carboxylic acid;2-[4-[4-(ethylamino)phenyl]phenyl]-6-fluoroquinoline-4-carboxylic acid;6-fluoro-2-[4-[3-(methoxymethyl)phenyl]phenyl]quinoline-4-carboxylic acid;6-fluoro-2-[4-[4-(methylamino)phenyl]phenyl]quinoline-4-carboxylic acid;6-fluoro-2-[4-(3-propylphenyl)phenyl]quinoline-4-carboxylic acid;2-[4-(4-methoxyphenyl)phenyl]-6-methylquinoline-4-carboxylic acid?
The canonical SMILES for 2-[4-[4-(dimethylamino)phenyl]phenyl]-6-fluoroquinoline-4-carboxylic acid;2-[4-[4-(ethylamino)phenyl]phenyl]-6-fluoroquinoline-4-carboxylic acid;6-fluoro-2-[4-[3-(methoxymethyl)phenyl]phenyl]quinoline-4-carboxylic acid;6-fluoro-2-[4-[4-(methylamino)phenyl]phenyl]quinoline-4-carboxylic acid;6-fluoro-2-[4-(3-propylphenyl)phenyl]quinoline-4-carboxylic acid;2-[4-(4-methoxyphenyl)phenyl]-6-methylquinoline-4-carboxylic acid is CCCc1cccc(-c2ccc(-c3cc(C(=O)O)c4cc(F)ccc4n3)cc2)c1.CCNc1ccc(-c2ccc(-c3cc(C(=O)O)c4cc(F)ccc4n3)cc2)cc1.CN(C)c1ccc(-c2ccc(-c3cc(C(=O)O)c4cc(F)ccc4n3)cc2)cc1.CNc1ccc(-c2ccc(-c3cc(C(=O)O)c4cc(F)ccc4n3)cc2)cc1.COCc1cccc(-c2ccc(-c3cc(C(=O)O)c4cc(F)ccc4n3)cc2)c1.COc1ccc(-c2ccc(-c3cc(C(=O)O)c4cc(C)ccc4n3)cc2)cc1.
What is the InChIKey of 2-[4-[4-(dimethylamino)phenyl]phenyl]-6-fluoroquinoline-4-carboxylic acid;2-[4-[4-(ethylamino)phenyl]phenyl]-6-fluoroquinoline-4-carboxylic acid;6-fluoro-2-[4-[3-(methoxymethyl)phenyl]phenyl]quinoline-4-carboxylic acid;6-fluoro-2-[4-[4-(methylamino)phenyl]phenyl]quinoline-4-carboxylic acid;6-fluoro-2-[4-(3-propylphenyl)phenyl]quinoline-4-carboxylic acid;2-[4-(4-methoxyphenyl)phenyl]-6-methylquinoline-4-carboxylic acid?
The InChIKey is IEHQQAAIYZRHDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20FNO2.2C24H19FN2O2.C24H18FNO3.C24H19NO3.C23H17FN2O2/c1-2-4-16-5-3-6-19(13-16)17-7-9-18(10-8-17)24-15-22(25(28)29)21-14-20(26)11-12-23(21)27-24;1-27(2)19-10-7-16(8-11-19)15-3-5-17(6-4-15)23-14-21(24(28)29)20-13-18(25)9-12-22(20)26-23;1-2-26-19-10-7-16(8-11-19)15-3-5-17(6-4-15)23-14-21(24(28)29)20-13-18(25)9-12-22(20)27-23;1-29-14-15-3-2-4-18(11-15)16-5-7-17(8-6-16)23-13-21(24(27)28)20-12-19(25)9-10-22(20)26-23;1-15-3-12-22-20(13-15)21(24(26)27)14-23(25-22)18-6-4-16(5-7-18)17-8-10-19(28-2)11-9-17;1-25-18-9-6-15(7-10-18)14-2-4-16(5-3-14)22-13-20(23(27)28)19-12-17(24)8-11-21(19)26-22/h3,5-15H,2,4H2,1H3,(H,28,29);3-14H,1-2H3,(H,28,29);3-14,26H,2H2,1H3,(H,28,29);2-13H,14H2,1H3,(H,27,28);3-14H,1-2H3,(H,26,27);2-13,25H,1H3,(H,27,28).
What are the key properties of 2-[4-[4-(dimethylamino)phenyl]phenyl]-6-fluoroquinoline-4-carboxylic acid;2-[4-[4-(ethylamino)phenyl]phenyl]-6-fluoroquinoline-4-carboxylic acid;6-fluoro-2-[4-[3-(methoxymethyl)phenyl]phenyl]quinoline-4-carboxylic acid;6-fluoro-2-[4-[4-(methylamino)phenyl]phenyl]quinoline-4-carboxylic acid;6-fluoro-2-[4-(3-propylphenyl)phenyl]quinoline-4-carboxylic acid;2-[4-(4-methoxyphenyl)phenyl]-6-methylquinoline-4-carboxylic acid?
2-[4-[4-(dimethylamino)phenyl]phenyl]-6-fluoroquinoline-4-carboxylic acid;2-[4-[4-(ethylamino)phenyl]phenyl]-6-fluoroquinoline-4-carboxylic acid;6-fluoro-2-[4-[3-(methoxymethyl)phenyl]phenyl]quinoline-4-carboxylic acid;6-fluoro-2-[4-[4-(methylamino)phenyl]phenyl]quinoline-4-carboxylic acid;6-fluoro-2-[4-(3-propylphenyl)phenyl]quinoline-4-carboxylic acid;2-[4-(4-methoxyphenyl)phenyl]-6-methylquinoline-4-carboxylic acid has a molecular weight of 2287.52 g/mol, XLogP of 34.25, 27 rotatable bonds, 8 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-(dimethylamino)phenyl]phenyl]-6-fluoroquinoline-4-carboxylic acid;2-[4-[4-(ethylamino)phenyl]phenyl]-6-fluoroquinoline-4-carboxylic acid;6-fluoro-2-[4-[3-(methoxymethyl)phenyl]phenyl]quinoline-4-carboxylic acid;6-fluoro-2-[4-[4-(methylamino)phenyl]phenyl]quinoline-4-carboxylic acid;6-fluoro-2-[4-(3-propylphenyl)phenyl]quinoline-4-carboxylic acid;2-[4-(4-methoxyphenyl)phenyl]-6-methylquinoline-4-carboxylic acid is sourced from PubChem (CID 158674138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).