2-imidazo[1,2-a]pyridin-2-yl-8-methyl-5-[(1S)-1-phenylethoxy]quinoline-4-carboxylic acid;2-indolizin-2-yl-8-methyl-5-[(1S)-1-phenylethoxy]quinoline-4-carboxylic acid;2-indolizin-2-yl-8-methyl-5-[(1R)-1-phenylethoxy]quinoline-4-carboxylic acid;8-methyl-2-(3-methylindolizin-2-yl)-5-[(1S)-1-phenylethoxy]quinoline-4-carboxylic acid;8-methyl-2-(3-methylindolizin-2-yl)-5-[(1R)-1-phenylethoxy]quinoline-4-carboxylic acid

C136H113N11O15 — CID 159012391

IUPAC2-imidazo[1,2-a]pyridin-2-yl-8-methyl-5-[(1S)-1-phenylethoxy]quinoline-4-carboxylic acid;2-indolizin-2-yl-8-methyl-5-[(1S)-1-phenylethoxy]quinoline-4-carboxylic acid;2-indolizin-2-yl-8-methyl-5-[(1R)-1-phenylethoxy]quinoline-4-carboxylic acid;8-methyl-2-(3-methylindolizin-2-yl)-5-[(1S)-1-phenylethoxy]quinoline-4-carboxylic acid;8-methyl-2-(3-methylindolizin-2-yl)-5-[(1R)-1-phenylethoxy]quinoline-4-carboxylic acid
SMILESCc1ccc(O[C@@H](C)c2ccccc2)c2c(C(=O)O)cc(-c3cc4ccccn4c3)nc12.Cc1ccc(O[C@@H](C)c2ccccc2)c2c(C(=O)O)cc(-c3cc4ccccn4c3C)nc12.Cc1ccc(O[C@@H](C)c2ccccc2)c2c(C(=O)O)cc(-c3cn4ccccc4n3)nc12.Cc1ccc(O[C@H](C)c2ccccc2)c2c(C(=O)O)cc(-c3cc4ccccn4c3)nc12.Cc1ccc(O[C@H](C)c2ccccc2)c2c(C(=O)O)cc(-c3cc4ccccn4c3C)nc12
InChIInChI=1S/2C28H24N2O3.2C27H22N2O3.C26H21N3O3/c2*1-17-12-13-25(33-19(3)20-9-5-4-6-10-20)26-23(28(31)32)16-24(29-27(17)26)22-15-21-11-7-8-14-30(21)18(22)2;2*1-17-11-12-24(32-18(2)19-8-4-3-5-9-19)25-22(27(30)31)15-23(28-26(17)25)20-14-21-10-6-7-13-29(21)16-20;1-16-11-12-22(32-17(2)18-8-4-3-5-9-18)24-19(26(30)31)14-20(28-25(16)24)21-15-29-13-7-6-10-23(29)27-21/h2*4-16,19H,1-3H3,(H,31,32);2*3-16,18H,1-2H3,(H,30,31);3-15,17H,1-2H3,(H,30,31)/t2*19-;2*18-;17-/m10100/s1
InChIKeyJSQUBAIYMSJSDJ-JQYVUBRWSA-N
MW2141.46 g/mol
LogP31.52
Rot. Bonds25

About 2-imidazo[1,2-a]pyridin-2-yl-8-methyl-5-[(1S)-1-phenylethoxy]quinoline-4-carboxylic acid;2-indolizin-2-yl-8-methyl-5-[(1S)-1-phenylethoxy]quinoline-4-carboxylic acid;2-indolizin-2-yl-8-methyl-5-[(1R)-1-phenylethoxy]quinoline-4-carboxylic acid;8-methyl-2-(3-methylindolizin-2-yl)-5-[(1S)-1-phenylethoxy]quinoline-4-carboxylic acid;8-methyl-2-(3-methylindolizin-2-yl)-5-[(1R)-1-phenylethoxy]quinoline-4-carboxylic acid

2-imidazo[1,2-a]pyridin-2-yl-8-methyl-5-[(1S)-1-phenylethoxy]quinoline-4-carboxylic acid;2-indolizin-2-yl-8-methyl-5-[(1S)-1-phenylethoxy]quinoline-4-carboxylic acid;2-indolizin-2-yl-8-methyl-5-[(1R)-1-phenylethoxy]quinoline-4-carboxylic acid;8-methyl-2-(3-methylindolizin-2-yl)-5-[(1S)-1-phenylethoxy]quinoline-4-carboxylic acid;8-methyl-2-(3-methylindolizin-2-yl)-5-[(1R)-1-phenylethoxy]quinoline-4-carboxylic acid (PubChem CID 159012391) has the molecular formula C136H113N11O15 and a molecular weight of 2141.46 g/mol. Its IUPAC name is 2-imidazo[1,2-a]pyridin-2-yl-8-methyl-5-[(1S)-1-phenylethoxy]quinoline-4-carboxylic acid;2-indolizin-2-yl-8-methyl-5-[(1S)-1-phenylethoxy]quinoline-4-carboxylic acid;2-indolizin-2-yl-8-methyl-5-[(1R)-1-phenylethoxy]quinoline-4-carboxylic acid;8-methyl-2-(3-methylindolizin-2-yl)-5-[(1S)-1-phenylethoxy]quinoline-4-carboxylic acid;8-methyl-2-(3-methylindolizin-2-yl)-5-[(1R)-1-phenylethoxy]quinoline-4-carboxylic acid.

Molecular Properties

Compound Name2-imidazo[1,2-a]pyridin-2-yl-8-methyl-5-[(1S)-1-phenylethoxy]quinoline-4-carboxylic acid;2-indolizin-2-yl-8-methyl-5-[(1S)-1-phenylethoxy]quinoline-4-carboxylic acid;2-indolizin-2-yl-8-methyl-5-[(1R)-1-phenylethoxy]quinoline-4-carboxylic acid;8-methyl-2-(3-methylindolizin-2-yl)-5-[(1S)-1-phenylethoxy]quinoline-4-carboxylic acid;8-methyl-2-(3-methylindolizin-2-yl)-5-[(1R)-1-phenylethoxy]quinoline-4-carboxylic acid
PubChem CID159012391
Molecular FormulaC136H113N11O15
Molecular Weight2141.46 g/mol
Exact Mass2139.84
IUPAC Name2-imidazo[1,2-a]pyridin-2-yl-8-methyl-5-[(1S)-1-phenylethoxy]quinoline-4-carboxylic acid;2-indolizin-2-yl-8-methyl-5-[(1S)-1-phenylethoxy]quinoline-4-carboxylic acid;2-indolizin-2-yl-8-methyl-5-[(1R)-1-phenylethoxy]quinoline-4-carboxylic acid;8-methyl-2-(3-methylindolizin-2-yl)-5-[(1S)-1-phenylethoxy]quinoline-4-carboxylic acid;8-methyl-2-(3-methylindolizin-2-yl)-5-[(1R)-1-phenylethoxy]quinoline-4-carboxylic acid
SMILESCc1ccc(O[C@@H](C)c2ccccc2)c2c(C(=O)O)cc(-c3cc4ccccn4c3)nc12.Cc1ccc(O[C@@H](C)c2ccccc2)c2c(C(=O)O)cc(-c3cc4ccccn4c3C)nc12.Cc1ccc(O[C@@H](C)c2ccccc2)c2c(C(=O)O)cc(-c3cn4ccccc4n3)nc12.Cc1ccc(O[C@H](C)c2ccccc2)c2c(C(=O)O)cc(-c3cc4ccccn4c3)nc12.Cc1ccc(O[C@H](C)c2ccccc2)c2c(C(=O)O)cc(-c3cc4ccccn4c3C)nc12
InChIInChI=1S/2C28H24N2O3.2C27H22N2O3.C26H21N3O3/c2*1-17-12-13-25(33-19(3)20-9-5-4-6-10-20)26-23(28(31)32)16-24(29-27(17)26)22-15-21-11-7-8-14-30(21)18(22)2;2*1-17-11-12-24(32-18(2)19-8-4-3-5-9-19)25-22(27(30)31)15-23(28-26(17)25)20-14-21-10-6-7-13-29(21)16-20;1-16-11-12-22(32-17(2)18-8-4-3-5-9-18)24-19(26(30)31)14-20(28-25(16)24)21-15-29-13-7-6-10-23(29)27-21/h2*4-16,19H,1-3H3,(H,31,32);2*3-16,18H,1-2H3,(H,30,31);3-15,17H,1-2H3,(H,30,31)/t2*19-;2*18-;17-/m10100/s1
InChIKeyJSQUBAIYMSJSDJ-JQYVUBRWSA-N
XLogP31.52
TPSA332.04 Ų
H-Bond Donors5
H-Bond Acceptors21
Rotatable Bonds25
Heavy Atoms162
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002141.46
LogP ≤ 531.52
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1021

Analyze 2-imidazo[1,2-a]pyridin-2-yl-8-methyl-5-[(1S)-1-phenylethoxy]quinoline-4-carboxylic acid;2-indolizin-2-yl-8-methyl-5-[(1S)-1-phenylethoxy]quinoline-4-carboxylic acid;2-indolizin-2-yl-8-methyl-5-[(1R)-1-phenylethoxy]quinoline-4-carboxylic acid;8-methyl-2-(3-methylindolizin-2-yl)-5-[(1S)-1-phenylethoxy]quinoline-4-carboxylic acid;8-methyl-2-(3-methylindolizin-2-yl)-5-[(1R)-1-phenylethoxy]quinoline-4-carboxylic acid with MolForge

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Launch Full Analysis

Related Compounds

US10065953, Example 12
CID 118909575
2-[2-[3-(4-Fluorophenyl)phenyl]-7-methyl-5-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)imidazo[1,2-a]pyridin-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid
CID 135314245
6-[2-(2-Ethoxyphenyl)ethyl]imidazo[1,2-a]pyridine-5-carboxylic acid;6-[2-(2-fluoro-3,4-dimethylphenyl)ethyl]imidazo[1,2-a]pyridine-5-carboxylic acid;6-[2-[4-(4-methylpiperazin-1-yl)phenyl]ethyl]imidazo[1,2-a]pyridine-5-carboxylic acid;6-[2-[4-methyl-2-(trifluoromethyl)phenyl]ethyl]imidazo[1,2-a]pyridine-5-carboxylic acid;6-[2-(2-phenylphenyl)ethyl]imidazo[1,2-a]pyridine-5-carboxylic acid;6-[2-(4-propan-2-yloxyphenyl)ethyl]imidazo[1,2-a]pyridine-5-carboxylic acid
CID 157933949
1-(5-Fluoro-2-pyridinyl)indole-5-carboxylic acid;1-(6-methoxy-3-pyridinyl)indole-5-carboxylic acid;1-(2-methylpyrimidin-4-yl)indole-5-carboxylic acid;1-pyridin-2-ylindole-5-carboxylic acid;1-pyridin-3-ylindole-5-carboxylic acid;1-pyridin-4-ylindole-5-carboxylic acid;1-pyrimidin-5-ylindole-5-carboxylic acid;1-[5-(trifluoromethyl)-2-pyridinyl]indole-5-carboxylic acid;1-[6-(trifluoromethyl)-3-pyridinyl]indole-5-carboxylic acid
CID 158411968
2-(3,5-dimethylbenzene-6-id-1-yl)-5-(2-methylpropyl)quinoline;1-[2,4-di(propan-2-yl)dibenzofuran-1-yl]-2-phenylimidazole;1-[2,4-di(propan-2-yl)dibenzofuran-3-yl]-2-phenylimidazole;bis(1-[2,6-di(propan-2-yl)phenyl]-2-phenylimidazole);4-hydroxypent-3-en-2-one;pentakis(iridium);2-methyl-8-[4-(4-propan-2-ylphenyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;2-methyl-8-pyridin-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;2-phenylpyridine;2-phenyl-5-(trifluoromethyl)pyridine
CID 158868747
3-[5-[5-ethoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]-2,6-difluorobenzamide;N-[5-[5-ethoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]-3,5-difluoropyridine-4-carboxamide;N-[5-[5-ethoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]-2-fluorobenzamide;N-[5-[5-ethoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]-3-fluoropyridine-4-carboxamide;N-[5-[5-ethoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]-3-methylpyridine-4-carboxamide;5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-amine
CID 173170211
3-[5-[5-Ethoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]-2,6-difluorobenzamide;2-[5-[5-ethoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]-3,5-difluoropyridine-4-carboxamide;3-[5-[5-ethoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]-2-fluorobenzamide;2-[5-[5-ethoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]-3-fluoropyridine-4-carboxamide;2-[5-[5-ethoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]-3-methylpyridine-4-carboxamide;5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-amine
CID 173422544
2-[3-[[1-[2-(2,3-Dihydro-1-benzofuran-5-yl)ethyl]-4-methylindol-3-yl]methyl]imidazo[1,2-a]pyridin-2-yl]naphthalene-1-carboxylic acid
CID 49849035
8-[6-[8-[8-[6-[8-[8-[6-[8-[8-[6-[8-(8-Pyridin-2-ylpyrido[3,2-b]indol-5-yl)-2-pyrimidin-2-yldibenzofuran-4-yl]-2-pyridinyl]pyrido[3,2-b]indol-5-yl]-2-pyrimidin-2-yldibenzofuran-4-yl]-2-pyridinyl]pyrido[3,2-b]indol-5-yl]-2-pyrimidin-2-yldibenzofuran-4-yl]-2-pyridinyl]pyrido[3,2-b]indol-5-yl]-2-pyrimidin-2-yldibenzofuran-4-yl]-2-pyridinyl]-3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 58099830
2-(benzimidazol-1-id-2-yl)benzimidazol-1-ide;2-(4-formyloxy-2-pyridinyl)pyridine-4-carboxylate;2-(4-formyloxy-2-pyridinyl)pyridine-4-carboxylic acid;ruthenium(1+);ruthenium(2+);3,4,7,8-tetramethyl-10H-benzo[h]quinolin-10-ide;3,4,7,8-tetramethyl-1,10-phenanthroline
CID 58239566
2-(Benzimidazol-1-id-2-yl)benzimidazol-1-ide;2-(4-formyloxy-2-pyridinyl)pyridine-4-carboxylate;2-(4-formyloxy-2-pyridinyl)pyridine-4-carboxylic acid;bis(1,10-phenanthroline);bis(ruthenium(1+))
CID 58239573
2-(Benzimidazol-1-id-2-yl)benzimidazol-1-ide;bis(4,7-dimethyl-1,10-phenanthroline);2-(4-formyloxy-2-pyridinyl)pyridine-4-carboxylate;2-(4-formyloxy-2-pyridinyl)pyridine-4-carboxylic acid;ruthenium;ruthenium(2+)
CID 58239579

Frequently Asked Questions

What is the IUPAC name of 2-imidazo[1,2-a]pyridin-2-yl-8-methyl-5-[(1S)-1-phenylethoxy]quinoline-4-carboxylic acid;2-indolizin-2-yl-8-methyl-5-[(1S)-1-phenylethoxy]quinoline-4-carboxylic acid;2-indolizin-2-yl-8-methyl-5-[(1R)-1-phenylethoxy]quinoline-4-carboxylic acid;8-methyl-2-(3-methylindolizin-2-yl)-5-[(1S)-1-phenylethoxy]quinoline-4-carboxylic acid;8-methyl-2-(3-methylindolizin-2-yl)-5-[(1R)-1-phenylethoxy]quinoline-4-carboxylic acid?
The IUPAC name of 2-imidazo[1,2-a]pyridin-2-yl-8-methyl-5-[(1S)-1-phenylethoxy]quinoline-4-carboxylic acid;2-indolizin-2-yl-8-methyl-5-[(1S)-1-phenylethoxy]quinoline-4-carboxylic acid;2-indolizin-2-yl-8-methyl-5-[(1R)-1-phenylethoxy]quinoline-4-carboxylic acid;8-methyl-2-(3-methylindolizin-2-yl)-5-[(1S)-1-phenylethoxy]quinoline-4-carboxylic acid;8-methyl-2-(3-methylindolizin-2-yl)-5-[(1R)-1-phenylethoxy]quinoline-4-carboxylic acid (CID 159012391) is 2-imidazo[1,2-a]pyridin-2-yl-8-methyl-5-[(1S)-1-phenylethoxy]quinoline-4-carboxylic acid;2-indolizin-2-yl-8-methyl-5-[(1S)-1-phenylethoxy]quinoline-4-carboxylic acid;2-indolizin-2-yl-8-methyl-5-[(1R)-1-phenylethoxy]quinoline-4-carboxylic acid;8-methyl-2-(3-methylindolizin-2-yl)-5-[(1S)-1-phenylethoxy]quinoline-4-carboxylic acid;8-methyl-2-(3-methylindolizin-2-yl)-5-[(1R)-1-phenylethoxy]quinoline-4-carboxylic acid.
What is the SMILES notation for 2-imidazo[1,2-a]pyridin-2-yl-8-methyl-5-[(1S)-1-phenylethoxy]quinoline-4-carboxylic acid;2-indolizin-2-yl-8-methyl-5-[(1S)-1-phenylethoxy]quinoline-4-carboxylic acid;2-indolizin-2-yl-8-methyl-5-[(1R)-1-phenylethoxy]quinoline-4-carboxylic acid;8-methyl-2-(3-methylindolizin-2-yl)-5-[(1S)-1-phenylethoxy]quinoline-4-carboxylic acid;8-methyl-2-(3-methylindolizin-2-yl)-5-[(1R)-1-phenylethoxy]quinoline-4-carboxylic acid?
The canonical SMILES for 2-imidazo[1,2-a]pyridin-2-yl-8-methyl-5-[(1S)-1-phenylethoxy]quinoline-4-carboxylic acid;2-indolizin-2-yl-8-methyl-5-[(1S)-1-phenylethoxy]quinoline-4-carboxylic acid;2-indolizin-2-yl-8-methyl-5-[(1R)-1-phenylethoxy]quinoline-4-carboxylic acid;8-methyl-2-(3-methylindolizin-2-yl)-5-[(1S)-1-phenylethoxy]quinoline-4-carboxylic acid;8-methyl-2-(3-methylindolizin-2-yl)-5-[(1R)-1-phenylethoxy]quinoline-4-carboxylic acid is Cc1ccc(O[C@@H](C)c2ccccc2)c2c(C(=O)O)cc(-c3cc4ccccn4c3)nc12.Cc1ccc(O[C@@H](C)c2ccccc2)c2c(C(=O)O)cc(-c3cc4ccccn4c3C)nc12.Cc1ccc(O[C@@H](C)c2ccccc2)c2c(C(=O)O)cc(-c3cn4ccccc4n3)nc12.Cc1ccc(O[C@H](C)c2ccccc2)c2c(C(=O)O)cc(-c3cc4ccccn4c3)nc12.Cc1ccc(O[C@H](C)c2ccccc2)c2c(C(=O)O)cc(-c3cc4ccccn4c3C)nc12.
What is the InChIKey of 2-imidazo[1,2-a]pyridin-2-yl-8-methyl-5-[(1S)-1-phenylethoxy]quinoline-4-carboxylic acid;2-indolizin-2-yl-8-methyl-5-[(1S)-1-phenylethoxy]quinoline-4-carboxylic acid;2-indolizin-2-yl-8-methyl-5-[(1R)-1-phenylethoxy]quinoline-4-carboxylic acid;8-methyl-2-(3-methylindolizin-2-yl)-5-[(1S)-1-phenylethoxy]quinoline-4-carboxylic acid;8-methyl-2-(3-methylindolizin-2-yl)-5-[(1R)-1-phenylethoxy]quinoline-4-carboxylic acid?
The InChIKey is JSQUBAIYMSJSDJ-JQYVUBRWSA-N. The full InChI is InChI=1S/2C28H24N2O3.2C27H22N2O3.C26H21N3O3/c2*1-17-12-13-25(33-19(3)20-9-5-4-6-10-20)26-23(28(31)32)16-24(29-27(17)26)22-15-21-11-7-8-14-30(21)18(22)2;2*1-17-11-12-24(32-18(2)19-8-4-3-5-9-19)25-22(27(30)31)15-23(28-26(17)25)20-14-21-10-6-7-13-29(21)16-20;1-16-11-12-22(32-17(2)18-8-4-3-5-9-18)24-19(26(30)31)14-20(28-25(16)24)21-15-29-13-7-6-10-23(29)27-21/h2*4-16,19H,1-3H3,(H,31,32);2*3-16,18H,1-2H3,(H,30,31);3-15,17H,1-2H3,(H,30,31)/t2*19-;2*18-;17-/m10100/s1.
What are the key properties of 2-imidazo[1,2-a]pyridin-2-yl-8-methyl-5-[(1S)-1-phenylethoxy]quinoline-4-carboxylic acid;2-indolizin-2-yl-8-methyl-5-[(1S)-1-phenylethoxy]quinoline-4-carboxylic acid;2-indolizin-2-yl-8-methyl-5-[(1R)-1-phenylethoxy]quinoline-4-carboxylic acid;8-methyl-2-(3-methylindolizin-2-yl)-5-[(1S)-1-phenylethoxy]quinoline-4-carboxylic acid;8-methyl-2-(3-methylindolizin-2-yl)-5-[(1R)-1-phenylethoxy]quinoline-4-carboxylic acid?
2-imidazo[1,2-a]pyridin-2-yl-8-methyl-5-[(1S)-1-phenylethoxy]quinoline-4-carboxylic acid;2-indolizin-2-yl-8-methyl-5-[(1S)-1-phenylethoxy]quinoline-4-carboxylic acid;2-indolizin-2-yl-8-methyl-5-[(1R)-1-phenylethoxy]quinoline-4-carboxylic acid;8-methyl-2-(3-methylindolizin-2-yl)-5-[(1S)-1-phenylethoxy]quinoline-4-carboxylic acid;8-methyl-2-(3-methylindolizin-2-yl)-5-[(1R)-1-phenylethoxy]quinoline-4-carboxylic acid has a molecular weight of 2141.46 g/mol, XLogP of 31.52, 25 rotatable bonds, 5 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imidazo[1,2-a]pyridin-2-yl-8-methyl-5-[(1S)-1-phenylethoxy]quinoline-4-carboxylic acid;2-indolizin-2-yl-8-methyl-5-[(1S)-1-phenylethoxy]quinoline-4-carboxylic acid;2-indolizin-2-yl-8-methyl-5-[(1R)-1-phenylethoxy]quinoline-4-carboxylic acid;8-methyl-2-(3-methylindolizin-2-yl)-5-[(1S)-1-phenylethoxy]quinoline-4-carboxylic acid;8-methyl-2-(3-methylindolizin-2-yl)-5-[(1R)-1-phenylethoxy]quinoline-4-carboxylic acid is sourced from PubChem (CID 159012391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).