sodium;2-[4-(4-butoxyphenyl)phenyl]-6-methylquinoline-4-carboxylic acid;2-[4-[4-(ethylamino)phenyl]phenyl]-6-methylquinoline-4-carboxylic acid;6-fluoro-2-[4-(4-nonoxyphenyl)phenyl]quinoline-4-carboxylate;6-methyl-2-[4-[4-(methylamino)phenyl]phenyl]quinoline-4-carboxylic acid;6-methyl-2-[4-(3-propylphenyl)phenyl]quinoline-4-carboxylic acid

C133H121FN7NaO12 — CID 158232455

IUPACsodium;2-[4-(4-butoxyphenyl)phenyl]-6-methylquinoline-4-carboxylic acid;2-[4-[4-(ethylamino)phenyl]phenyl]-6-methylquinoline-4-carboxylic acid;6-fluoro-2-[4-(4-nonoxyphenyl)phenyl]quinoline-4-carboxylate;6-methyl-2-[4-[4-(methylamino)phenyl]phenyl]quinoline-4-carboxylic acid;6-methyl-2-[4-(3-propylphenyl)phenyl]quinoline-4-carboxylic acid
SMILESCCCCCCCCCOc1ccc(-c2ccc(-c3cc(C(=O)[O-])c4cc(F)ccc4n3)cc2)cc1.CCCCOc1ccc(-c2ccc(-c3cc(C(=O)O)c4cc(C)ccc4n3)cc2)cc1.CCCc1cccc(-c2ccc(-c3cc(C(=O)O)c4cc(C)ccc4n3)cc2)c1.CCNc1ccc(-c2ccc(-c3cc(C(=O)O)c4cc(C)ccc4n3)cc2)cc1.CNc1ccc(-c2ccc(-c3cc(C(=O)O)c4cc(C)ccc4n3)cc2)cc1.[Na+]
InChIInChI=1S/C31H32FNO3.C27H25NO3.C26H23NO2.C25H22N2O2.C24H20N2O2.Na/c1-2-3-4-5-6-7-8-19-36-26-16-13-23(14-17-26)22-9-11-24(12-10-22)30-21-28(31(34)35)27-20-25(32)15-18-29(27)33-30;1-3-4-15-31-22-12-10-20(11-13-22)19-6-8-21(9-7-19)26-17-24(27(29)30)23-16-18(2)5-14-25(23)28-26;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;1-3-26-20-11-9-18(10-12-20)17-5-7-19(8-6-17)24-15-22(25(28)29)21-14-16(2)4-13-23(21)27-24;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;/h9-18,20-21H,2-8,19H2,1H3,(H,34,35);5-14,16-17H,3-4,15H2,1-2H3,(H,29,30);4,6-16H,3,5H2,1-2H3,(H,28,29);4-15,26H,3H2,1-2H3,(H,28,29);3-14,25H,1-2H3,(H,27,28);/q;;;;;+1/p-1
InChIKeyGENVRHMFPSYKKD-UHFFFAOYSA-M
MW2051.46 g/mol
LogP29.11
Rot. Bonds33

About sodium;2-[4-(4-butoxyphenyl)phenyl]-6-methylquinoline-4-carboxylic acid;2-[4-[4-(ethylamino)phenyl]phenyl]-6-methylquinoline-4-carboxylic acid;6-fluoro-2-[4-(4-nonoxyphenyl)phenyl]quinoline-4-carboxylate;6-methyl-2-[4-[4-(methylamino)phenyl]phenyl]quinoline-4-carboxylic acid;6-methyl-2-[4-(3-propylphenyl)phenyl]quinoline-4-carboxylic acid

sodium;2-[4-(4-butoxyphenyl)phenyl]-6-methylquinoline-4-carboxylic acid;2-[4-[4-(ethylamino)phenyl]phenyl]-6-methylquinoline-4-carboxylic acid;6-fluoro-2-[4-(4-nonoxyphenyl)phenyl]quinoline-4-carboxylate;6-methyl-2-[4-[4-(methylamino)phenyl]phenyl]quinoline-4-carboxylic acid;6-methyl-2-[4-(3-propylphenyl)phenyl]quinoline-4-carboxylic acid (PubChem CID 158232455) has the molecular formula C133H121FN7NaO12 and a molecular weight of 2051.46 g/mol. Its IUPAC name is sodium;2-[4-(4-butoxyphenyl)phenyl]-6-methylquinoline-4-carboxylic acid;2-[4-[4-(ethylamino)phenyl]phenyl]-6-methylquinoline-4-carboxylic acid;6-fluoro-2-[4-(4-nonoxyphenyl)phenyl]quinoline-4-carboxylate;6-methyl-2-[4-[4-(methylamino)phenyl]phenyl]quinoline-4-carboxylic acid;6-methyl-2-[4-(3-propylphenyl)phenyl]quinoline-4-carboxylic acid.

Molecular Properties

Compound Namesodium;2-[4-(4-butoxyphenyl)phenyl]-6-methylquinoline-4-carboxylic acid;2-[4-[4-(ethylamino)phenyl]phenyl]-6-methylquinoline-4-carboxylic acid;6-fluoro-2-[4-(4-nonoxyphenyl)phenyl]quinoline-4-carboxylate;6-methyl-2-[4-[4-(methylamino)phenyl]phenyl]quinoline-4-carboxylic acid;6-methyl-2-[4-(3-propylphenyl)phenyl]quinoline-4-carboxylic acid
PubChem CID158232455
Molecular FormulaC133H121FN7NaO12
Molecular Weight2051.46 g/mol
Exact Mass2049.90
IUPAC Namesodium;2-[4-(4-butoxyphenyl)phenyl]-6-methylquinoline-4-carboxylic acid;2-[4-[4-(ethylamino)phenyl]phenyl]-6-methylquinoline-4-carboxylic acid;6-fluoro-2-[4-(4-nonoxyphenyl)phenyl]quinoline-4-carboxylate;6-methyl-2-[4-[4-(methylamino)phenyl]phenyl]quinoline-4-carboxylic acid;6-methyl-2-[4-(3-propylphenyl)phenyl]quinoline-4-carboxylic acid
SMILESCCCCCCCCCOc1ccc(-c2ccc(-c3cc(C(=O)[O-])c4cc(F)ccc4n3)cc2)cc1.CCCCOc1ccc(-c2ccc(-c3cc(C(=O)O)c4cc(C)ccc4n3)cc2)cc1.CCCc1cccc(-c2ccc(-c3cc(C(=O)O)c4cc(C)ccc4n3)cc2)c1.CCNc1ccc(-c2ccc(-c3cc(C(=O)O)c4cc(C)ccc4n3)cc2)cc1.CNc1ccc(-c2ccc(-c3cc(C(=O)O)c4cc(C)ccc4n3)cc2)cc1.[Na+]
InChIInChI=1S/C31H32FNO3.C27H25NO3.C26H23NO2.C25H22N2O2.C24H20N2O2.Na/c1-2-3-4-5-6-7-8-19-36-26-16-13-23(14-17-26)22-9-11-24(12-10-22)30-21-28(31(34)35)27-20-25(32)15-18-29(27)33-30;1-3-4-15-31-22-12-10-20(11-13-22)19-6-8-21(9-7-19)26-17-24(27(29)30)23-16-18(2)5-14-25(23)28-26;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;1-3-26-20-11-9-18(10-12-20)17-5-7-19(8-6-17)24-15-22(25(28)29)21-14-16(2)4-13-23(21)27-24;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;/h9-18,20-21H,2-8,19H2,1H3,(H,34,35);5-14,16-17H,3-4,15H2,1-2H3,(H,29,30);4,6-16H,3,5H2,1-2H3,(H,28,29);4-15,26H,3H2,1-2H3,(H,28,29);3-14,25H,1-2H3,(H,27,28);/q;;;;;+1/p-1
InChIKeyGENVRHMFPSYKKD-UHFFFAOYSA-M
XLogP29.11
TPSA296.30 Ų
H-Bond Donors6
H-Bond Acceptors15
Rotatable Bonds33
Heavy Atoms154
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002051.46
LogP ≤ 529.11
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze sodium;2-[4-(4-butoxyphenyl)phenyl]-6-methylquinoline-4-carboxylic acid;2-[4-[4-(ethylamino)phenyl]phenyl]-6-methylquinoline-4-carboxylic acid;6-fluoro-2-[4-(4-nonoxyphenyl)phenyl]quinoline-4-carboxylate;6-methyl-2-[4-[4-(methylamino)phenyl]phenyl]quinoline-4-carboxylic acid;6-methyl-2-[4-(3-propylphenyl)phenyl]quinoline-4-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-fluoro-2-[5-(4-nonoxyphenyl)-2-pyridinyl]quinoline-4-carboxylic acid
CID 156802368
6-fluoro-2-[4-[4-(methylamino)phenyl]phenyl]quinoline-4-carboxylic acid
CID 153380344
6-fluoro-2-[4-[3-(methoxymethyl)phenyl]phenyl]quinoline-4-carboxylic acid
CID 153380413
potassium 6-bromo-2-(4-butoxyphenyl)quinoline-4-carboxylate
CID 23711749
2-[4-(4-butoxyphenyl)phenyl]-6-iodoquinoline-4-carboxylic acid
CID 170148625
6-methyl-2-(4-phenylmethoxyphenyl)quinoline-4-carboxylic acid
CID 4711644
8-methyl-2-(4-pentoxyphenyl)quinoline-4-carboxylic acid
CID 7139668
6-fluoro-2-(4-fluorophenyl)quinoline-4-carboxylate
CID 7452999
6-fluoro-2-[3-fluoro-4-(4-propoxyphenyl)phenyl]quinoline-4-carboxylic acid
CID 156547298
6-butyl-2-(4-methylphenyl)quinoline-4-carboxylic acid
CID 3996403
2-[4-(2-butoxyphenyl)-3-methylphenyl]-6-fluoroquinoline-4-carboxylic acid
CID 175339893
2-[4-(4-propoxyphenyl)phenyl]-6-(trifluoromethyl)quinoline-4-carboxylic acid
CID 153380378

Frequently Asked Questions

What is the IUPAC name of sodium;2-[4-(4-butoxyphenyl)phenyl]-6-methylquinoline-4-carboxylic acid;2-[4-[4-(ethylamino)phenyl]phenyl]-6-methylquinoline-4-carboxylic acid;6-fluoro-2-[4-(4-nonoxyphenyl)phenyl]quinoline-4-carboxylate;6-methyl-2-[4-[4-(methylamino)phenyl]phenyl]quinoline-4-carboxylic acid;6-methyl-2-[4-(3-propylphenyl)phenyl]quinoline-4-carboxylic acid?
The IUPAC name of sodium;2-[4-(4-butoxyphenyl)phenyl]-6-methylquinoline-4-carboxylic acid;2-[4-[4-(ethylamino)phenyl]phenyl]-6-methylquinoline-4-carboxylic acid;6-fluoro-2-[4-(4-nonoxyphenyl)phenyl]quinoline-4-carboxylate;6-methyl-2-[4-[4-(methylamino)phenyl]phenyl]quinoline-4-carboxylic acid;6-methyl-2-[4-(3-propylphenyl)phenyl]quinoline-4-carboxylic acid (CID 158232455) is sodium;2-[4-(4-butoxyphenyl)phenyl]-6-methylquinoline-4-carboxylic acid;2-[4-[4-(ethylamino)phenyl]phenyl]-6-methylquinoline-4-carboxylic acid;6-fluoro-2-[4-(4-nonoxyphenyl)phenyl]quinoline-4-carboxylate;6-methyl-2-[4-[4-(methylamino)phenyl]phenyl]quinoline-4-carboxylic acid;6-methyl-2-[4-(3-propylphenyl)phenyl]quinoline-4-carboxylic acid.
What is the SMILES notation for sodium;2-[4-(4-butoxyphenyl)phenyl]-6-methylquinoline-4-carboxylic acid;2-[4-[4-(ethylamino)phenyl]phenyl]-6-methylquinoline-4-carboxylic acid;6-fluoro-2-[4-(4-nonoxyphenyl)phenyl]quinoline-4-carboxylate;6-methyl-2-[4-[4-(methylamino)phenyl]phenyl]quinoline-4-carboxylic acid;6-methyl-2-[4-(3-propylphenyl)phenyl]quinoline-4-carboxylic acid?
The canonical SMILES for sodium;2-[4-(4-butoxyphenyl)phenyl]-6-methylquinoline-4-carboxylic acid;2-[4-[4-(ethylamino)phenyl]phenyl]-6-methylquinoline-4-carboxylic acid;6-fluoro-2-[4-(4-nonoxyphenyl)phenyl]quinoline-4-carboxylate;6-methyl-2-[4-[4-(methylamino)phenyl]phenyl]quinoline-4-carboxylic acid;6-methyl-2-[4-(3-propylphenyl)phenyl]quinoline-4-carboxylic acid is CCCCCCCCCOc1ccc(-c2ccc(-c3cc(C(=O)[O-])c4cc(F)ccc4n3)cc2)cc1.CCCCOc1ccc(-c2ccc(-c3cc(C(=O)O)c4cc(C)ccc4n3)cc2)cc1.CCCc1cccc(-c2ccc(-c3cc(C(=O)O)c4cc(C)ccc4n3)cc2)c1.CCNc1ccc(-c2ccc(-c3cc(C(=O)O)c4cc(C)ccc4n3)cc2)cc1.CNc1ccc(-c2ccc(-c3cc(C(=O)O)c4cc(C)ccc4n3)cc2)cc1.[Na+].
What is the InChIKey of sodium;2-[4-(4-butoxyphenyl)phenyl]-6-methylquinoline-4-carboxylic acid;2-[4-[4-(ethylamino)phenyl]phenyl]-6-methylquinoline-4-carboxylic acid;6-fluoro-2-[4-(4-nonoxyphenyl)phenyl]quinoline-4-carboxylate;6-methyl-2-[4-[4-(methylamino)phenyl]phenyl]quinoline-4-carboxylic acid;6-methyl-2-[4-(3-propylphenyl)phenyl]quinoline-4-carboxylic acid?
The InChIKey is GENVRHMFPSYKKD-UHFFFAOYSA-M. The full InChI is InChI=1S/C31H32FNO3.C27H25NO3.C26H23NO2.C25H22N2O2.C24H20N2O2.Na/c1-2-3-4-5-6-7-8-19-36-26-16-13-23(14-17-26)22-9-11-24(12-10-22)30-21-28(31(34)35)27-20-25(32)15-18-29(27)33-30;1-3-4-15-31-22-12-10-20(11-13-22)19-6-8-21(9-7-19)26-17-24(27(29)30)23-16-18(2)5-14-25(23)28-26;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;1-3-26-20-11-9-18(10-12-20)17-5-7-19(8-6-17)24-15-22(25(28)29)21-14-16(2)4-13-23(21)27-24;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;/h9-18,20-21H,2-8,19H2,1H3,(H,34,35);5-14,16-17H,3-4,15H2,1-2H3,(H,29,30);4,6-16H,3,5H2,1-2H3,(H,28,29);4-15,26H,3H2,1-2H3,(H,28,29);3-14,25H,1-2H3,(H,27,28);/q;;;;;+1/p-1.
What are the key properties of sodium;2-[4-(4-butoxyphenyl)phenyl]-6-methylquinoline-4-carboxylic acid;2-[4-[4-(ethylamino)phenyl]phenyl]-6-methylquinoline-4-carboxylic acid;6-fluoro-2-[4-(4-nonoxyphenyl)phenyl]quinoline-4-carboxylate;6-methyl-2-[4-[4-(methylamino)phenyl]phenyl]quinoline-4-carboxylic acid;6-methyl-2-[4-(3-propylphenyl)phenyl]quinoline-4-carboxylic acid?
sodium;2-[4-(4-butoxyphenyl)phenyl]-6-methylquinoline-4-carboxylic acid;2-[4-[4-(ethylamino)phenyl]phenyl]-6-methylquinoline-4-carboxylic acid;6-fluoro-2-[4-(4-nonoxyphenyl)phenyl]quinoline-4-carboxylate;6-methyl-2-[4-[4-(methylamino)phenyl]phenyl]quinoline-4-carboxylic acid;6-methyl-2-[4-(3-propylphenyl)phenyl]quinoline-4-carboxylic acid has a molecular weight of 2051.46 g/mol, XLogP of 29.11, 33 rotatable bonds, 6 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;2-[4-(4-butoxyphenyl)phenyl]-6-methylquinoline-4-carboxylic acid;2-[4-[4-(ethylamino)phenyl]phenyl]-6-methylquinoline-4-carboxylic acid;6-fluoro-2-[4-(4-nonoxyphenyl)phenyl]quinoline-4-carboxylate;6-methyl-2-[4-[4-(methylamino)phenyl]phenyl]quinoline-4-carboxylic acid;6-methyl-2-[4-(3-propylphenyl)phenyl]quinoline-4-carboxylic acid is sourced from PubChem (CID 158232455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).