2-[4-[4-(dimethylamino)phenyl]phenyl]-6-methylquinoline-4-carboxylic acid;2-[4-(4-ethoxy-2-fluorophenyl)phenyl]-6-methylquinoline-4-carboxylic acid;2-[4-[4-(methoxymethyl)phenyl]phenyl]-6-methylquinoline-4-carboxylic acid;6-methyl-2-[4-[4-(methylamino)phenyl]phenyl]quinoline-4-carboxylic acid;6-methyl-2-[4-(4-phenoxyphenyl)phenyl]quinoline-4-carboxylic acid;6-methyl-2-[4-(3-propylphenyl)phenyl]quinoline-4-carboxylic acid

C154H127FN8O15 — CID 158125924

IUPAC2-[4-[4-(dimethylamino)phenyl]phenyl]-6-methylquinoline-4-carboxylic acid;2-[4-(4-ethoxy-2-fluorophenyl)phenyl]-6-methylquinoline-4-carboxylic acid;2-[4-[4-(methoxymethyl)phenyl]phenyl]-6-methylquinoline-4-carboxylic acid;6-methyl-2-[4-[4-(methylamino)phenyl]phenyl]quinoline-4-carboxylic acid;6-methyl-2-[4-(4-phenoxyphenyl)phenyl]quinoline-4-carboxylic acid;6-methyl-2-[4-(3-propylphenyl)phenyl]quinoline-4-carboxylic acid
SMILESCCCc1cccc(-c2ccc(-c3cc(C(=O)O)c4cc(C)ccc4n3)cc2)c1.CCOc1ccc(-c2ccc(-c3cc(C(=O)O)c4cc(C)ccc4n3)cc2)c(F)c1.CNc1ccc(-c2ccc(-c3cc(C(=O)O)c4cc(C)ccc4n3)cc2)cc1.COCc1ccc(-c2ccc(-c3cc(C(=O)O)c4cc(C)ccc4n3)cc2)cc1.Cc1ccc2nc(-c3ccc(-c4ccc(N(C)C)cc4)cc3)cc(C(=O)O)c2c1.Cc1ccc2nc(-c3ccc(-c4ccc(Oc5ccccc5)cc4)cc3)cc(C(=O)O)c2c1
InChIInChI=1S/C29H21NO3.C26H23NO2.C25H20FNO3.C25H22N2O2.C25H21NO3.C24H20N2O2/c1-19-7-16-27-25(17-19)26(29(31)32)18-28(30-27)22-10-8-20(9-11-22)21-12-14-24(15-13-21)33-23-5-3-2-4-6-23;1-3-5-18-6-4-7-21(15-18)19-9-11-20(12-10-19)25-16-23(26(28)29)22-14-17(2)8-13-24(22)27-25;1-3-30-18-9-10-19(22(26)13-18)16-5-7-17(8-6-16)24-14-21(25(28)29)20-12-15(2)4-11-23(20)27-24;1-16-4-13-23-21(14-16)22(25(28)29)15-24(26-23)19-7-5-17(6-8-19)18-9-11-20(12-10-18)27(2)3;1-16-3-12-23-21(13-16)22(25(27)28)14-24(26-23)20-10-8-19(9-11-20)18-6-4-17(5-7-18)15-29-2;1-15-3-12-22-20(13-15)21(24(27)28)14-23(26-22)18-6-4-16(5-7-18)17-8-10-19(25-2)11-9-17/h2-18H,1H3,(H,31,32);4,6-16H,3,5H2,1-2H3,(H,28,29);4-14H,3H2,1-2H3,(H,28,29);4-15H,1-3H3,(H,28,29);3-14H,15H2,1-2H3,(H,27,28);3-14,25H,1-2H3,(H,27,28)
InChIKeyFSEATEFCJUJKKE-UHFFFAOYSA-N
MW2348.75 g/mol
LogP36.99
Rot. Bonds28

About 2-[4-[4-(dimethylamino)phenyl]phenyl]-6-methylquinoline-4-carboxylic acid;2-[4-(4-ethoxy-2-fluorophenyl)phenyl]-6-methylquinoline-4-carboxylic acid;2-[4-[4-(methoxymethyl)phenyl]phenyl]-6-methylquinoline-4-carboxylic acid;6-methyl-2-[4-[4-(methylamino)phenyl]phenyl]quinoline-4-carboxylic acid;6-methyl-2-[4-(4-phenoxyphenyl)phenyl]quinoline-4-carboxylic acid;6-methyl-2-[4-(3-propylphenyl)phenyl]quinoline-4-carboxylic acid

2-[4-[4-(dimethylamino)phenyl]phenyl]-6-methylquinoline-4-carboxylic acid;2-[4-(4-ethoxy-2-fluorophenyl)phenyl]-6-methylquinoline-4-carboxylic acid;2-[4-[4-(methoxymethyl)phenyl]phenyl]-6-methylquinoline-4-carboxylic acid;6-methyl-2-[4-[4-(methylamino)phenyl]phenyl]quinoline-4-carboxylic acid;6-methyl-2-[4-(4-phenoxyphenyl)phenyl]quinoline-4-carboxylic acid;6-methyl-2-[4-(3-propylphenyl)phenyl]quinoline-4-carboxylic acid (PubChem CID 158125924) has the molecular formula C154H127FN8O15 and a molecular weight of 2348.75 g/mol. Its IUPAC name is 2-[4-[4-(dimethylamino)phenyl]phenyl]-6-methylquinoline-4-carboxylic acid;2-[4-(4-ethoxy-2-fluorophenyl)phenyl]-6-methylquinoline-4-carboxylic acid;2-[4-[4-(methoxymethyl)phenyl]phenyl]-6-methylquinoline-4-carboxylic acid;6-methyl-2-[4-[4-(methylamino)phenyl]phenyl]quinoline-4-carboxylic acid;6-methyl-2-[4-(4-phenoxyphenyl)phenyl]quinoline-4-carboxylic acid;6-methyl-2-[4-(3-propylphenyl)phenyl]quinoline-4-carboxylic acid.

Molecular Properties

Compound Name2-[4-[4-(dimethylamino)phenyl]phenyl]-6-methylquinoline-4-carboxylic acid;2-[4-(4-ethoxy-2-fluorophenyl)phenyl]-6-methylquinoline-4-carboxylic acid;2-[4-[4-(methoxymethyl)phenyl]phenyl]-6-methylquinoline-4-carboxylic acid;6-methyl-2-[4-[4-(methylamino)phenyl]phenyl]quinoline-4-carboxylic acid;6-methyl-2-[4-(4-phenoxyphenyl)phenyl]quinoline-4-carboxylic acid;6-methyl-2-[4-(3-propylphenyl)phenyl]quinoline-4-carboxylic acid
PubChem CID158125924
Molecular FormulaC154H127FN8O15
Molecular Weight2348.75 g/mol
Exact Mass2346.94
IUPAC Name2-[4-[4-(dimethylamino)phenyl]phenyl]-6-methylquinoline-4-carboxylic acid;2-[4-(4-ethoxy-2-fluorophenyl)phenyl]-6-methylquinoline-4-carboxylic acid;2-[4-[4-(methoxymethyl)phenyl]phenyl]-6-methylquinoline-4-carboxylic acid;6-methyl-2-[4-[4-(methylamino)phenyl]phenyl]quinoline-4-carboxylic acid;6-methyl-2-[4-(4-phenoxyphenyl)phenyl]quinoline-4-carboxylic acid;6-methyl-2-[4-(3-propylphenyl)phenyl]quinoline-4-carboxylic acid
SMILESCCCc1cccc(-c2ccc(-c3cc(C(=O)O)c4cc(C)ccc4n3)cc2)c1.CCOc1ccc(-c2ccc(-c3cc(C(=O)O)c4cc(C)ccc4n3)cc2)c(F)c1.CNc1ccc(-c2ccc(-c3cc(C(=O)O)c4cc(C)ccc4n3)cc2)cc1.COCc1ccc(-c2ccc(-c3cc(C(=O)O)c4cc(C)ccc4n3)cc2)cc1.Cc1ccc2nc(-c3ccc(-c4ccc(N(C)C)cc4)cc3)cc(C(=O)O)c2c1.Cc1ccc2nc(-c3ccc(-c4ccc(Oc5ccccc5)cc4)cc3)cc(C(=O)O)c2c1
InChIInChI=1S/C29H21NO3.C26H23NO2.C25H20FNO3.C25H22N2O2.C25H21NO3.C24H20N2O2/c1-19-7-16-27-25(17-19)26(29(31)32)18-28(30-27)22-10-8-20(9-11-22)21-12-14-24(15-13-21)33-23-5-3-2-4-6-23;1-3-5-18-6-4-7-21(15-18)19-9-11-20(12-10-19)25-16-23(26(28)29)22-14-17(2)8-13-24(22)27-25;1-3-30-18-9-10-19(22(26)13-18)16-5-7-17(8-6-16)24-14-21(25(28)29)20-12-15(2)4-11-23(20)27-24;1-16-4-13-23-21(14-16)22(25(28)29)15-24(26-23)19-7-5-17(6-8-19)18-9-11-20(12-10-18)27(2)3;1-16-3-12-23-21(13-16)22(25(27)28)14-24(26-23)20-10-8-19(9-11-20)18-6-4-17(5-7-18)15-29-2;1-15-3-12-22-20(13-15)21(24(27)28)14-23(26-22)18-6-4-16(5-7-18)17-8-10-19(25-2)11-9-17/h2-18H,1H3,(H,31,32);4,6-16H,3,5H2,1-2H3,(H,28,29);4-14H,3H2,1-2H3,(H,28,29);4-15H,1-3H3,(H,28,29);3-14H,15H2,1-2H3,(H,27,28);3-14,25H,1-2H3,(H,27,28)
InChIKeyFSEATEFCJUJKKE-UHFFFAOYSA-N
XLogP36.99
TPSA344.10 Ų
H-Bond Donors7
H-Bond Acceptors17
Rotatable Bonds28
Heavy Atoms178
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002348.75
LogP ≤ 536.99
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1017

Analyze 2-[4-[4-(dimethylamino)phenyl]phenyl]-6-methylquinoline-4-carboxylic acid;2-[4-(4-ethoxy-2-fluorophenyl)phenyl]-6-methylquinoline-4-carboxylic acid;2-[4-[4-(methoxymethyl)phenyl]phenyl]-6-methylquinoline-4-carboxylic acid;6-methyl-2-[4-[4-(methylamino)phenyl]phenyl]quinoline-4-carboxylic acid;6-methyl-2-[4-(4-phenoxyphenyl)phenyl]quinoline-4-carboxylic acid;6-methyl-2-[4-(3-propylphenyl)phenyl]quinoline-4-carboxylic acid with MolForge

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Related Compounds

3-[[2-[2-[2-[2-[2-[(3-Carboxy-5-quinolin-4-ylanilino)methyl]phenoxy]ethoxy]ethoxy]ethoxy]phenyl]methylamino]-5-quinolin-4-ylbenzoic acid
CID 164890263
3-[[2-[2-[2-[2-[2-[(3-Carboxy-5-quinolin-4-ylanilino)methyl]phenoxy]ethoxy]ethoxy]ethoxy]phenyl]methylamino]-5-(5,8-dihydroquinolin-4-yl)benzoic acid
CID 164889295
6-(2-Aminoethyl)-2-[4-[2-fluoro-4-[(2-methylpropan-2-yl)oxy]phenyl]phenyl]-3-methylquinoline-4-carboxylic acid
CID 19708568
2-[4-(4-Butoxyphenyl)phenyl]-6-fluoroquinoline-4-carboxylic acid
CID 147415820
6-Fluoro-2-[4-(4-propan-2-yloxyphenyl)phenyl]quinoline-4-carboxylic acid
CID 147591599
6-Fluoro-2-[4-[4-(2-methylpropoxy)phenyl]phenyl]quinoline-4-carboxylic acid
CID 148317260
6-Fluoro-2-[4-(4-hexoxyphenyl)phenyl]quinoline-4-carboxylic acid
CID 148941096
6-Fluoro-2-[4-(4-heptoxyphenyl)phenyl]quinoline-4-carboxylic acid
CID 152249972
2-[4-(4-Ethoxyphenyl)phenyl]-6-fluoroquinoline-4-carboxylic acid
CID 153380323
2-[4-(4-Ethoxyphenyl)phenyl]-8-fluoroquinoline-4-carboxylic acid
CID 153380324
6-Fluoro-2-[4-(4-propoxyphenyl)phenyl]quinoline-4-carboxylic acid
CID 153380329
2-[4-[4-(2-Ethoxyethoxy)phenyl]phenyl]-6-fluoroquinoline-4-carboxylic acid
CID 153380331

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-(dimethylamino)phenyl]phenyl]-6-methylquinoline-4-carboxylic acid;2-[4-(4-ethoxy-2-fluorophenyl)phenyl]-6-methylquinoline-4-carboxylic acid;2-[4-[4-(methoxymethyl)phenyl]phenyl]-6-methylquinoline-4-carboxylic acid;6-methyl-2-[4-[4-(methylamino)phenyl]phenyl]quinoline-4-carboxylic acid;6-methyl-2-[4-(4-phenoxyphenyl)phenyl]quinoline-4-carboxylic acid;6-methyl-2-[4-(3-propylphenyl)phenyl]quinoline-4-carboxylic acid?
The IUPAC name of 2-[4-[4-(dimethylamino)phenyl]phenyl]-6-methylquinoline-4-carboxylic acid;2-[4-(4-ethoxy-2-fluorophenyl)phenyl]-6-methylquinoline-4-carboxylic acid;2-[4-[4-(methoxymethyl)phenyl]phenyl]-6-methylquinoline-4-carboxylic acid;6-methyl-2-[4-[4-(methylamino)phenyl]phenyl]quinoline-4-carboxylic acid;6-methyl-2-[4-(4-phenoxyphenyl)phenyl]quinoline-4-carboxylic acid;6-methyl-2-[4-(3-propylphenyl)phenyl]quinoline-4-carboxylic acid (CID 158125924) is 2-[4-[4-(dimethylamino)phenyl]phenyl]-6-methylquinoline-4-carboxylic acid;2-[4-(4-ethoxy-2-fluorophenyl)phenyl]-6-methylquinoline-4-carboxylic acid;2-[4-[4-(methoxymethyl)phenyl]phenyl]-6-methylquinoline-4-carboxylic acid;6-methyl-2-[4-[4-(methylamino)phenyl]phenyl]quinoline-4-carboxylic acid;6-methyl-2-[4-(4-phenoxyphenyl)phenyl]quinoline-4-carboxylic acid;6-methyl-2-[4-(3-propylphenyl)phenyl]quinoline-4-carboxylic acid.
What is the SMILES notation for 2-[4-[4-(dimethylamino)phenyl]phenyl]-6-methylquinoline-4-carboxylic acid;2-[4-(4-ethoxy-2-fluorophenyl)phenyl]-6-methylquinoline-4-carboxylic acid;2-[4-[4-(methoxymethyl)phenyl]phenyl]-6-methylquinoline-4-carboxylic acid;6-methyl-2-[4-[4-(methylamino)phenyl]phenyl]quinoline-4-carboxylic acid;6-methyl-2-[4-(4-phenoxyphenyl)phenyl]quinoline-4-carboxylic acid;6-methyl-2-[4-(3-propylphenyl)phenyl]quinoline-4-carboxylic acid?
The canonical SMILES for 2-[4-[4-(dimethylamino)phenyl]phenyl]-6-methylquinoline-4-carboxylic acid;2-[4-(4-ethoxy-2-fluorophenyl)phenyl]-6-methylquinoline-4-carboxylic acid;2-[4-[4-(methoxymethyl)phenyl]phenyl]-6-methylquinoline-4-carboxylic acid;6-methyl-2-[4-[4-(methylamino)phenyl]phenyl]quinoline-4-carboxylic acid;6-methyl-2-[4-(4-phenoxyphenyl)phenyl]quinoline-4-carboxylic acid;6-methyl-2-[4-(3-propylphenyl)phenyl]quinoline-4-carboxylic acid is CCCc1cccc(-c2ccc(-c3cc(C(=O)O)c4cc(C)ccc4n3)cc2)c1.CCOc1ccc(-c2ccc(-c3cc(C(=O)O)c4cc(C)ccc4n3)cc2)c(F)c1.CNc1ccc(-c2ccc(-c3cc(C(=O)O)c4cc(C)ccc4n3)cc2)cc1.COCc1ccc(-c2ccc(-c3cc(C(=O)O)c4cc(C)ccc4n3)cc2)cc1.Cc1ccc2nc(-c3ccc(-c4ccc(N(C)C)cc4)cc3)cc(C(=O)O)c2c1.Cc1ccc2nc(-c3ccc(-c4ccc(Oc5ccccc5)cc4)cc3)cc(C(=O)O)c2c1.
What is the InChIKey of 2-[4-[4-(dimethylamino)phenyl]phenyl]-6-methylquinoline-4-carboxylic acid;2-[4-(4-ethoxy-2-fluorophenyl)phenyl]-6-methylquinoline-4-carboxylic acid;2-[4-[4-(methoxymethyl)phenyl]phenyl]-6-methylquinoline-4-carboxylic acid;6-methyl-2-[4-[4-(methylamino)phenyl]phenyl]quinoline-4-carboxylic acid;6-methyl-2-[4-(4-phenoxyphenyl)phenyl]quinoline-4-carboxylic acid;6-methyl-2-[4-(3-propylphenyl)phenyl]quinoline-4-carboxylic acid?
The InChIKey is FSEATEFCJUJKKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H21NO3.C26H23NO2.C25H20FNO3.C25H22N2O2.C25H21NO3.C24H20N2O2/c1-19-7-16-27-25(17-19)26(29(31)32)18-28(30-27)22-10-8-20(9-11-22)21-12-14-24(15-13-21)33-23-5-3-2-4-6-23;1-3-5-18-6-4-7-21(15-18)19-9-11-20(12-10-19)25-16-23(26(28)29)22-14-17(2)8-13-24(22)27-25;1-3-30-18-9-10-19(22(26)13-18)16-5-7-17(8-6-16)24-14-21(25(28)29)20-12-15(2)4-11-23(20)27-24;1-16-4-13-23-21(14-16)22(25(28)29)15-24(26-23)19-7-5-17(6-8-19)18-9-11-20(12-10-18)27(2)3;1-16-3-12-23-21(13-16)22(25(27)28)14-24(26-23)20-10-8-19(9-11-20)18-6-4-17(5-7-18)15-29-2;1-15-3-12-22-20(13-15)21(24(27)28)14-23(26-22)18-6-4-16(5-7-18)17-8-10-19(25-2)11-9-17/h2-18H,1H3,(H,31,32);4,6-16H,3,5H2,1-2H3,(H,28,29);4-14H,3H2,1-2H3,(H,28,29);4-15H,1-3H3,(H,28,29);3-14H,15H2,1-2H3,(H,27,28);3-14,25H,1-2H3,(H,27,28).
What are the key properties of 2-[4-[4-(dimethylamino)phenyl]phenyl]-6-methylquinoline-4-carboxylic acid;2-[4-(4-ethoxy-2-fluorophenyl)phenyl]-6-methylquinoline-4-carboxylic acid;2-[4-[4-(methoxymethyl)phenyl]phenyl]-6-methylquinoline-4-carboxylic acid;6-methyl-2-[4-[4-(methylamino)phenyl]phenyl]quinoline-4-carboxylic acid;6-methyl-2-[4-(4-phenoxyphenyl)phenyl]quinoline-4-carboxylic acid;6-methyl-2-[4-(3-propylphenyl)phenyl]quinoline-4-carboxylic acid?
2-[4-[4-(dimethylamino)phenyl]phenyl]-6-methylquinoline-4-carboxylic acid;2-[4-(4-ethoxy-2-fluorophenyl)phenyl]-6-methylquinoline-4-carboxylic acid;2-[4-[4-(methoxymethyl)phenyl]phenyl]-6-methylquinoline-4-carboxylic acid;6-methyl-2-[4-[4-(methylamino)phenyl]phenyl]quinoline-4-carboxylic acid;6-methyl-2-[4-(4-phenoxyphenyl)phenyl]quinoline-4-carboxylic acid;6-methyl-2-[4-(3-propylphenyl)phenyl]quinoline-4-carboxylic acid has a molecular weight of 2348.75 g/mol, XLogP of 36.99, 28 rotatable bonds, 7 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-(dimethylamino)phenyl]phenyl]-6-methylquinoline-4-carboxylic acid;2-[4-(4-ethoxy-2-fluorophenyl)phenyl]-6-methylquinoline-4-carboxylic acid;2-[4-[4-(methoxymethyl)phenyl]phenyl]-6-methylquinoline-4-carboxylic acid;6-methyl-2-[4-[4-(methylamino)phenyl]phenyl]quinoline-4-carboxylic acid;6-methyl-2-[4-(4-phenoxyphenyl)phenyl]quinoline-4-carboxylic acid;6-methyl-2-[4-(3-propylphenyl)phenyl]quinoline-4-carboxylic acid is sourced from PubChem (CID 158125924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).