6-chloro-2-[4-(4-methylphenyl)phenyl]quinoline-4-carboxylic acid;6-fluoro-2-[4-(2-fluoro-4-methylphenyl)phenyl]quinoline-4-carboxylic acid;6-fluoro-2-[4-(3-fluoro-5-methylphenyl)phenyl]quinoline-4-carboxylic acid;6-fluoro-3-methyl-2-[4-(4-methylphenyl)phenyl]quinoline-4-carboxylic acid;2-[4-(2-fluoro-4-methylphenyl)phenyl]-6-methylquinoline-4-carboxylic acid;6-fluoro-2-[4-(3-methylphenyl)phenyl]quinoline-4-carboxylic acid

C140H98ClF7N6O12 — CID 158863422

IUPAC6-chloro-2-[4-(4-methylphenyl)phenyl]quinoline-4-carboxylic acid;6-fluoro-2-[4-(2-fluoro-4-methylphenyl)phenyl]quinoline-4-carboxylic acid;6-fluoro-2-[4-(3-fluoro-5-methylphenyl)phenyl]quinoline-4-carboxylic acid;6-fluoro-3-methyl-2-[4-(4-methylphenyl)phenyl]quinoline-4-carboxylic acid;2-[4-(2-fluoro-4-methylphenyl)phenyl]-6-methylquinoline-4-carboxylic acid;6-fluoro-2-[4-(3-methylphenyl)phenyl]quinoline-4-carboxylic acid
SMILESCc1cc(F)cc(-c2ccc(-c3cc(C(=O)O)c4cc(F)ccc4n3)cc2)c1.Cc1ccc(-c2ccc(-c3cc(C(=O)O)c4cc(C)ccc4n3)cc2)c(F)c1.Cc1ccc(-c2ccc(-c3cc(C(=O)O)c4cc(Cl)ccc4n3)cc2)cc1.Cc1ccc(-c2ccc(-c3cc(C(=O)O)c4cc(F)ccc4n3)cc2)c(F)c1.Cc1ccc(-c2ccc(-c3nc4ccc(F)cc4c(C(=O)O)c3C)cc2)cc1.Cc1cccc(-c2ccc(-c3cc(C(=O)O)c4cc(F)ccc4n3)cc2)c1
InChIInChI=1S/2C24H18FNO2.C23H16ClNO2.2C23H15F2NO2.C23H16FNO2/c1-14-4-10-22-19(11-14)20(24(27)28)13-23(26-22)17-7-5-16(6-8-17)18-9-3-15(2)12-21(18)25;1-14-3-5-16(6-4-14)17-7-9-18(10-8-17)23-15(2)22(24(27)28)20-13-19(25)11-12-21(20)26-23;1-14-2-4-15(5-3-14)16-6-8-17(9-7-16)22-13-20(23(26)27)19-12-18(24)10-11-21(19)25-22;1-13-2-8-17(20(25)10-13)14-3-5-15(6-4-14)22-12-19(23(27)28)18-11-16(24)7-9-21(18)26-22;1-13-8-16(10-18(25)9-13)14-2-4-15(5-3-14)22-12-20(23(27)28)19-11-17(24)6-7-21(19)26-22;1-14-3-2-4-17(11-14)15-5-7-16(8-6-15)22-13-20(23(26)27)19-12-18(24)9-10-21(19)25-22/h2*3-13H,1-2H3,(H,27,28);2-13H,1H3,(H,26,27);2*2-12H,1H3,(H,27,28);2-13H,1H3,(H,26,27)
InChIKeyJAXUYVQWHVRHFG-UHFFFAOYSA-N
MW2224.79 g/mol
LogP35.70
Rot. Bonds18

About 6-chloro-2-[4-(4-methylphenyl)phenyl]quinoline-4-carboxylic acid;6-fluoro-2-[4-(2-fluoro-4-methylphenyl)phenyl]quinoline-4-carboxylic acid;6-fluoro-2-[4-(3-fluoro-5-methylphenyl)phenyl]quinoline-4-carboxylic acid;6-fluoro-3-methyl-2-[4-(4-methylphenyl)phenyl]quinoline-4-carboxylic acid;2-[4-(2-fluoro-4-methylphenyl)phenyl]-6-methylquinoline-4-carboxylic acid;6-fluoro-2-[4-(3-methylphenyl)phenyl]quinoline-4-carboxylic acid

6-chloro-2-[4-(4-methylphenyl)phenyl]quinoline-4-carboxylic acid;6-fluoro-2-[4-(2-fluoro-4-methylphenyl)phenyl]quinoline-4-carboxylic acid;6-fluoro-2-[4-(3-fluoro-5-methylphenyl)phenyl]quinoline-4-carboxylic acid;6-fluoro-3-methyl-2-[4-(4-methylphenyl)phenyl]quinoline-4-carboxylic acid;2-[4-(2-fluoro-4-methylphenyl)phenyl]-6-methylquinoline-4-carboxylic acid;6-fluoro-2-[4-(3-methylphenyl)phenyl]quinoline-4-carboxylic acid (PubChem CID 158863422) has the molecular formula C140H98ClF7N6O12 and a molecular weight of 2224.79 g/mol. Its IUPAC name is 6-chloro-2-[4-(4-methylphenyl)phenyl]quinoline-4-carboxylic acid;6-fluoro-2-[4-(2-fluoro-4-methylphenyl)phenyl]quinoline-4-carboxylic acid;6-fluoro-2-[4-(3-fluoro-5-methylphenyl)phenyl]quinoline-4-carboxylic acid;6-fluoro-3-methyl-2-[4-(4-methylphenyl)phenyl]quinoline-4-carboxylic acid;2-[4-(2-fluoro-4-methylphenyl)phenyl]-6-methylquinoline-4-carboxylic acid;6-fluoro-2-[4-(3-methylphenyl)phenyl]quinoline-4-carboxylic acid.

Molecular Properties

Compound Name6-chloro-2-[4-(4-methylphenyl)phenyl]quinoline-4-carboxylic acid;6-fluoro-2-[4-(2-fluoro-4-methylphenyl)phenyl]quinoline-4-carboxylic acid;6-fluoro-2-[4-(3-fluoro-5-methylphenyl)phenyl]quinoline-4-carboxylic acid;6-fluoro-3-methyl-2-[4-(4-methylphenyl)phenyl]quinoline-4-carboxylic acid;2-[4-(2-fluoro-4-methylphenyl)phenyl]-6-methylquinoline-4-carboxylic acid;6-fluoro-2-[4-(3-methylphenyl)phenyl]quinoline-4-carboxylic acid
PubChem CID158863422
Molecular FormulaC140H98ClF7N6O12
Molecular Weight2224.79 g/mol
Exact Mass2222.68
IUPAC Name6-chloro-2-[4-(4-methylphenyl)phenyl]quinoline-4-carboxylic acid;6-fluoro-2-[4-(2-fluoro-4-methylphenyl)phenyl]quinoline-4-carboxylic acid;6-fluoro-2-[4-(3-fluoro-5-methylphenyl)phenyl]quinoline-4-carboxylic acid;6-fluoro-3-methyl-2-[4-(4-methylphenyl)phenyl]quinoline-4-carboxylic acid;2-[4-(2-fluoro-4-methylphenyl)phenyl]-6-methylquinoline-4-carboxylic acid;6-fluoro-2-[4-(3-methylphenyl)phenyl]quinoline-4-carboxylic acid
SMILESCc1cc(F)cc(-c2ccc(-c3cc(C(=O)O)c4cc(F)ccc4n3)cc2)c1.Cc1ccc(-c2ccc(-c3cc(C(=O)O)c4cc(C)ccc4n3)cc2)c(F)c1.Cc1ccc(-c2ccc(-c3cc(C(=O)O)c4cc(Cl)ccc4n3)cc2)cc1.Cc1ccc(-c2ccc(-c3cc(C(=O)O)c4cc(F)ccc4n3)cc2)c(F)c1.Cc1ccc(-c2ccc(-c3nc4ccc(F)cc4c(C(=O)O)c3C)cc2)cc1.Cc1cccc(-c2ccc(-c3cc(C(=O)O)c4cc(F)ccc4n3)cc2)c1
InChIInChI=1S/2C24H18FNO2.C23H16ClNO2.2C23H15F2NO2.C23H16FNO2/c1-14-4-10-22-19(11-14)20(24(27)28)13-23(26-22)17-7-5-16(6-8-17)18-9-3-15(2)12-21(18)25;1-14-3-5-16(6-4-14)17-7-9-18(10-8-17)23-15(2)22(24(27)28)20-13-19(25)11-12-21(20)26-23;1-14-2-4-15(5-3-14)16-6-8-17(9-7-16)22-13-20(23(26)27)19-12-18(24)10-11-21(19)25-22;1-13-2-8-17(20(25)10-13)14-3-5-15(6-4-14)22-12-19(23(27)28)18-11-16(24)7-9-21(18)26-22;1-13-8-16(10-18(25)9-13)14-2-4-15(5-3-14)22-12-20(23(27)28)19-11-17(24)6-7-21(19)26-22;1-14-3-2-4-17(11-14)15-5-7-16(8-6-15)22-13-20(23(26)27)19-12-18(24)9-10-21(19)25-22/h2*3-13H,1-2H3,(H,27,28);2-13H,1H3,(H,26,27);2*2-12H,1H3,(H,27,28);2-13H,1H3,(H,26,27)
InChIKeyJAXUYVQWHVRHFG-UHFFFAOYSA-N
XLogP35.70
TPSA301.14 Ų
H-Bond Donors6
H-Bond Acceptors12
Rotatable Bonds18
Heavy Atoms166
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002224.79
LogP ≤ 535.70
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1012

Analyze 6-chloro-2-[4-(4-methylphenyl)phenyl]quinoline-4-carboxylic acid;6-fluoro-2-[4-(2-fluoro-4-methylphenyl)phenyl]quinoline-4-carboxylic acid;6-fluoro-2-[4-(3-fluoro-5-methylphenyl)phenyl]quinoline-4-carboxylic acid;6-fluoro-3-methyl-2-[4-(4-methylphenyl)phenyl]quinoline-4-carboxylic acid;2-[4-(2-fluoro-4-methylphenyl)phenyl]-6-methylquinoline-4-carboxylic acid;6-fluoro-2-[4-(3-methylphenyl)phenyl]quinoline-4-carboxylic acid with MolForge

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Related Compounds

2-[4-(2-Chloro-6-methylpyridin-3-yl)phenyl]-6-fluoro-3-methylquinoline-4-carboxylic acid
CID 133107894
2-(4'-(4-Carboxy-6-chloro-2-quinolinyl)[1,1'-biphenyl]-4-yl)-6-chloro-4-quinolinecarboxylic acid
CID 427265
6-Chloro-2-[4-(2-chloro-6-methyl-3-pyridinyl)phenyl]-3-methylquinoline-4-carboxylic acid
CID 145969551
6-Chloro-2-(2'-Fluorobiphenyl-4-Yl)-3-Methylquinoline-4-Carboxylic Acid
CID 13960674
2-Biphenyl-4-yl-6-chloro-3-methyl-quinoline-4-carboxylic acid
CID 13960640
6-Chloro-2-[4-(trifluoromethyl)phenyl]quinoline-4-carboxylic acid
CID 5041285
6-Chloro-2-(2'-fluorobiphenyl-4-yl)quinoline-4-carboxylic acid
CID 129661965
2,4'-Diyl)bis(6-chloroquinoline-4-carboxylic acid), potassium salt
CID 54612327
6-Chloro-3-methyl-2-[3-(trifluoromethyl)phenyl]quinoline-4-carboxylic acid
CID 67383687
6-Chloro-3-[(4-piperidin-1-ylpiperidin-1-yl)methyl]-2-[3-(trifluoromethyl)phenyl]quinoline-4-carboxylic acid
CID 67384301
6-Chloro-2-[4-(4-fluorophenyl)phenyl]quinoline-4-carboxylic acid
CID 153380364
2-[4-[4-(1,1-Difluoroethyl)phenyl]phenyl]-6-(4-fluorophenyl)quinoline-4-carboxylic acid;8-fluoro-2-[4-(2-fluoro-4-methylphenyl)phenyl]-3-methylquinoline-4-carboxylic acid;8-fluoro-2-[4-(4-methylphenyl)phenyl]quinoline-4-carboxylic acid
CID 157542080

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-[4-(4-methylphenyl)phenyl]quinoline-4-carboxylic acid;6-fluoro-2-[4-(2-fluoro-4-methylphenyl)phenyl]quinoline-4-carboxylic acid;6-fluoro-2-[4-(3-fluoro-5-methylphenyl)phenyl]quinoline-4-carboxylic acid;6-fluoro-3-methyl-2-[4-(4-methylphenyl)phenyl]quinoline-4-carboxylic acid;2-[4-(2-fluoro-4-methylphenyl)phenyl]-6-methylquinoline-4-carboxylic acid;6-fluoro-2-[4-(3-methylphenyl)phenyl]quinoline-4-carboxylic acid?
The IUPAC name of 6-chloro-2-[4-(4-methylphenyl)phenyl]quinoline-4-carboxylic acid;6-fluoro-2-[4-(2-fluoro-4-methylphenyl)phenyl]quinoline-4-carboxylic acid;6-fluoro-2-[4-(3-fluoro-5-methylphenyl)phenyl]quinoline-4-carboxylic acid;6-fluoro-3-methyl-2-[4-(4-methylphenyl)phenyl]quinoline-4-carboxylic acid;2-[4-(2-fluoro-4-methylphenyl)phenyl]-6-methylquinoline-4-carboxylic acid;6-fluoro-2-[4-(3-methylphenyl)phenyl]quinoline-4-carboxylic acid (CID 158863422) is 6-chloro-2-[4-(4-methylphenyl)phenyl]quinoline-4-carboxylic acid;6-fluoro-2-[4-(2-fluoro-4-methylphenyl)phenyl]quinoline-4-carboxylic acid;6-fluoro-2-[4-(3-fluoro-5-methylphenyl)phenyl]quinoline-4-carboxylic acid;6-fluoro-3-methyl-2-[4-(4-methylphenyl)phenyl]quinoline-4-carboxylic acid;2-[4-(2-fluoro-4-methylphenyl)phenyl]-6-methylquinoline-4-carboxylic acid;6-fluoro-2-[4-(3-methylphenyl)phenyl]quinoline-4-carboxylic acid.
What is the SMILES notation for 6-chloro-2-[4-(4-methylphenyl)phenyl]quinoline-4-carboxylic acid;6-fluoro-2-[4-(2-fluoro-4-methylphenyl)phenyl]quinoline-4-carboxylic acid;6-fluoro-2-[4-(3-fluoro-5-methylphenyl)phenyl]quinoline-4-carboxylic acid;6-fluoro-3-methyl-2-[4-(4-methylphenyl)phenyl]quinoline-4-carboxylic acid;2-[4-(2-fluoro-4-methylphenyl)phenyl]-6-methylquinoline-4-carboxylic acid;6-fluoro-2-[4-(3-methylphenyl)phenyl]quinoline-4-carboxylic acid?
The canonical SMILES for 6-chloro-2-[4-(4-methylphenyl)phenyl]quinoline-4-carboxylic acid;6-fluoro-2-[4-(2-fluoro-4-methylphenyl)phenyl]quinoline-4-carboxylic acid;6-fluoro-2-[4-(3-fluoro-5-methylphenyl)phenyl]quinoline-4-carboxylic acid;6-fluoro-3-methyl-2-[4-(4-methylphenyl)phenyl]quinoline-4-carboxylic acid;2-[4-(2-fluoro-4-methylphenyl)phenyl]-6-methylquinoline-4-carboxylic acid;6-fluoro-2-[4-(3-methylphenyl)phenyl]quinoline-4-carboxylic acid is Cc1cc(F)cc(-c2ccc(-c3cc(C(=O)O)c4cc(F)ccc4n3)cc2)c1.Cc1ccc(-c2ccc(-c3cc(C(=O)O)c4cc(C)ccc4n3)cc2)c(F)c1.Cc1ccc(-c2ccc(-c3cc(C(=O)O)c4cc(Cl)ccc4n3)cc2)cc1.Cc1ccc(-c2ccc(-c3cc(C(=O)O)c4cc(F)ccc4n3)cc2)c(F)c1.Cc1ccc(-c2ccc(-c3nc4ccc(F)cc4c(C(=O)O)c3C)cc2)cc1.Cc1cccc(-c2ccc(-c3cc(C(=O)O)c4cc(F)ccc4n3)cc2)c1.
What is the InChIKey of 6-chloro-2-[4-(4-methylphenyl)phenyl]quinoline-4-carboxylic acid;6-fluoro-2-[4-(2-fluoro-4-methylphenyl)phenyl]quinoline-4-carboxylic acid;6-fluoro-2-[4-(3-fluoro-5-methylphenyl)phenyl]quinoline-4-carboxylic acid;6-fluoro-3-methyl-2-[4-(4-methylphenyl)phenyl]quinoline-4-carboxylic acid;2-[4-(2-fluoro-4-methylphenyl)phenyl]-6-methylquinoline-4-carboxylic acid;6-fluoro-2-[4-(3-methylphenyl)phenyl]quinoline-4-carboxylic acid?
The InChIKey is JAXUYVQWHVRHFG-UHFFFAOYSA-N. The full InChI is InChI=1S/2C24H18FNO2.C23H16ClNO2.2C23H15F2NO2.C23H16FNO2/c1-14-4-10-22-19(11-14)20(24(27)28)13-23(26-22)17-7-5-16(6-8-17)18-9-3-15(2)12-21(18)25;1-14-3-5-16(6-4-14)17-7-9-18(10-8-17)23-15(2)22(24(27)28)20-13-19(25)11-12-21(20)26-23;1-14-2-4-15(5-3-14)16-6-8-17(9-7-16)22-13-20(23(26)27)19-12-18(24)10-11-21(19)25-22;1-13-2-8-17(20(25)10-13)14-3-5-15(6-4-14)22-12-19(23(27)28)18-11-16(24)7-9-21(18)26-22;1-13-8-16(10-18(25)9-13)14-2-4-15(5-3-14)22-12-20(23(27)28)19-11-17(24)6-7-21(19)26-22;1-14-3-2-4-17(11-14)15-5-7-16(8-6-15)22-13-20(23(26)27)19-12-18(24)9-10-21(19)25-22/h2*3-13H,1-2H3,(H,27,28);2-13H,1H3,(H,26,27);2*2-12H,1H3,(H,27,28);2-13H,1H3,(H,26,27).
What are the key properties of 6-chloro-2-[4-(4-methylphenyl)phenyl]quinoline-4-carboxylic acid;6-fluoro-2-[4-(2-fluoro-4-methylphenyl)phenyl]quinoline-4-carboxylic acid;6-fluoro-2-[4-(3-fluoro-5-methylphenyl)phenyl]quinoline-4-carboxylic acid;6-fluoro-3-methyl-2-[4-(4-methylphenyl)phenyl]quinoline-4-carboxylic acid;2-[4-(2-fluoro-4-methylphenyl)phenyl]-6-methylquinoline-4-carboxylic acid;6-fluoro-2-[4-(3-methylphenyl)phenyl]quinoline-4-carboxylic acid?
6-chloro-2-[4-(4-methylphenyl)phenyl]quinoline-4-carboxylic acid;6-fluoro-2-[4-(2-fluoro-4-methylphenyl)phenyl]quinoline-4-carboxylic acid;6-fluoro-2-[4-(3-fluoro-5-methylphenyl)phenyl]quinoline-4-carboxylic acid;6-fluoro-3-methyl-2-[4-(4-methylphenyl)phenyl]quinoline-4-carboxylic acid;2-[4-(2-fluoro-4-methylphenyl)phenyl]-6-methylquinoline-4-carboxylic acid;6-fluoro-2-[4-(3-methylphenyl)phenyl]quinoline-4-carboxylic acid has a molecular weight of 2224.79 g/mol, XLogP of 35.70, 18 rotatable bonds, 6 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-[4-(4-methylphenyl)phenyl]quinoline-4-carboxylic acid;6-fluoro-2-[4-(2-fluoro-4-methylphenyl)phenyl]quinoline-4-carboxylic acid;6-fluoro-2-[4-(3-fluoro-5-methylphenyl)phenyl]quinoline-4-carboxylic acid;6-fluoro-3-methyl-2-[4-(4-methylphenyl)phenyl]quinoline-4-carboxylic acid;2-[4-(2-fluoro-4-methylphenyl)phenyl]-6-methylquinoline-4-carboxylic acid;6-fluoro-2-[4-(3-methylphenyl)phenyl]quinoline-4-carboxylic acid is sourced from PubChem (CID 158863422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).