4-[2-(1,2,4-benzotriazin-3-yl)-2-oxoethyl]-2-(4-chlorophenyl)thiophene-3-carboxylic acid;2-(4-bromophenyl)-4-(quinoxaline-2-carbonylamino)thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-(2-cinnolin-3-yl-2-oxoethyl)thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[2-(5-methylquinoxalin-2-yl)-2-oxoethyl]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[2-(8-methylquinoxalin-2-yl)-2-oxoethyl]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-(2-oxo-2-quinazolin-2-ylethyl)thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-(2-oxo-2-quinoxalin-2-ylethyl)thiophene-3-carboxylic acid;2-(4-methylphenyl)-4-(quinoline-2-carbonylamino)thiophene-3-carboxylic acid

C169H109BrCl6N18O24S8 — CID 159094794

IUPAC4-[2-(1,2,4-benzotriazin-3-yl)-2-oxoethyl]-2-(4-chlorophenyl)thiophene-3-carboxylic acid;2-(4-bromophenyl)-4-(quinoxaline-2-carbonylamino)thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-(2-cinnolin-3-yl-2-oxoethyl)thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[2-(5-methylquinoxalin-2-yl)-2-oxoethyl]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[2-(8-methylquinoxalin-2-yl)-2-oxoethyl]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-(2-oxo-2-quinazolin-2-ylethyl)thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-(2-oxo-2-quinoxalin-2-ylethyl)thiophene-3-carboxylic acid;2-(4-methylphenyl)-4-(quinoline-2-carbonylamino)thiophene-3-carboxylic acid
SMILESCc1ccc(-c2scc(NC(=O)c3ccc4ccccc4n3)c2C(=O)O)cc1.Cc1cccc2nc(C(=O)Cc3csc(-c4ccc(Cl)cc4)c3C(=O)O)cnc12.Cc1cccc2ncc(C(=O)Cc3csc(-c4ccc(Cl)cc4)c3C(=O)O)nc12.O=C(Cc1csc(-c2ccc(Cl)cc2)c1C(=O)O)c1cc2ccccc2nn1.O=C(Cc1csc(-c2ccc(Cl)cc2)c1C(=O)O)c1cnc2ccccc2n1.O=C(Cc1csc(-c2ccc(Cl)cc2)c1C(=O)O)c1ncc2ccccc2n1.O=C(Cc1csc(-c2ccc(Cl)cc2)c1C(=O)O)c1nnc2ccccc2n1.O=C(Nc1csc(-c2ccc(Br)cc2)c1C(=O)O)c1cnc2ccccc2n1
InChIInChI=1S/2C22H15ClN2O3S.C22H16N2O3S.3C21H13ClN2O3S.C20H12BrN3O3S.C20H12ClN3O3S/c1-12-3-2-4-16-20(12)24-10-17(25-16)18(26)9-14-11-29-21(19(14)22(27)28)13-5-7-15(23)8-6-13;1-12-3-2-4-16-20(12)25-17(10-24-16)18(26)9-14-11-29-21(19(14)22(27)28)13-5-7-15(23)8-6-13;1-13-6-8-15(9-7-13)20-19(22(26)27)18(12-28-20)24-21(25)17-11-10-14-4-2-3-5-16(14)23-17;22-14-7-5-12(6-8-14)20-19(21(26)27)13(11-28-20)9-18(25)17-10-23-15-3-1-2-4-16(15)24-17;22-15-7-5-12(6-8-15)19-18(21(26)27)14(11-28-19)9-17(25)20-23-10-13-3-1-2-4-16(13)24-20;22-15-7-5-12(6-8-15)20-19(21(26)27)14(11-28-20)10-18(25)17-9-13-3-1-2-4-16(13)23-24-17;21-12-7-5-11(6-8-12)18-17(20(26)27)16(10-28-18)24-19(25)15-9-22-13-3-1-2-4-14(13)23-15;21-13-7-5-11(6-8-13)18-17(20(26)27)12(10-28-18)9-16(25)19-22-14-3-1-2-4-15(14)23-24-19/h2*2-8,10-11H,9H2,1H3,(H,27,28);2-12H,1H3,(H,24,25)(H,26,27);2*1-8,10-11H,9H2,(H,26,27);1-9,11H,10H2,(H,26,27);1-10H,(H,24,25)(H,26,27);1-8,10H,9H2,(H,26,27)
InChIKeyKCNKXCSYOWLAJP-UHFFFAOYSA-N
MW3324.99 g/mol
LogP41.12
Rot. Bonds38

About 4-[2-(1,2,4-benzotriazin-3-yl)-2-oxoethyl]-2-(4-chlorophenyl)thiophene-3-carboxylic acid;2-(4-bromophenyl)-4-(quinoxaline-2-carbonylamino)thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-(2-cinnolin-3-yl-2-oxoethyl)thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[2-(5-methylquinoxalin-2-yl)-2-oxoethyl]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[2-(8-methylquinoxalin-2-yl)-2-oxoethyl]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-(2-oxo-2-quinazolin-2-ylethyl)thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-(2-oxo-2-quinoxalin-2-ylethyl)thiophene-3-carboxylic acid;2-(4-methylphenyl)-4-(quinoline-2-carbonylamino)thiophene-3-carboxylic acid

4-[2-(1,2,4-benzotriazin-3-yl)-2-oxoethyl]-2-(4-chlorophenyl)thiophene-3-carboxylic acid;2-(4-bromophenyl)-4-(quinoxaline-2-carbonylamino)thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-(2-cinnolin-3-yl-2-oxoethyl)thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[2-(5-methylquinoxalin-2-yl)-2-oxoethyl]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[2-(8-methylquinoxalin-2-yl)-2-oxoethyl]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-(2-oxo-2-quinazolin-2-ylethyl)thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-(2-oxo-2-quinoxalin-2-ylethyl)thiophene-3-carboxylic acid;2-(4-methylphenyl)-4-(quinoline-2-carbonylamino)thiophene-3-carboxylic acid (PubChem CID 159094794) has the molecular formula C169H109BrCl6N18O24S8 and a molecular weight of 3324.99 g/mol. Its IUPAC name is 4-[2-(1,2,4-benzotriazin-3-yl)-2-oxoethyl]-2-(4-chlorophenyl)thiophene-3-carboxylic acid;2-(4-bromophenyl)-4-(quinoxaline-2-carbonylamino)thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-(2-cinnolin-3-yl-2-oxoethyl)thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[2-(5-methylquinoxalin-2-yl)-2-oxoethyl]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[2-(8-methylquinoxalin-2-yl)-2-oxoethyl]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-(2-oxo-2-quinazolin-2-ylethyl)thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-(2-oxo-2-quinoxalin-2-ylethyl)thiophene-3-carboxylic acid;2-(4-methylphenyl)-4-(quinoline-2-carbonylamino)thiophene-3-carboxylic acid.

Molecular Properties

Compound Name4-[2-(1,2,4-benzotriazin-3-yl)-2-oxoethyl]-2-(4-chlorophenyl)thiophene-3-carboxylic acid;2-(4-bromophenyl)-4-(quinoxaline-2-carbonylamino)thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-(2-cinnolin-3-yl-2-oxoethyl)thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[2-(5-methylquinoxalin-2-yl)-2-oxoethyl]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[2-(8-methylquinoxalin-2-yl)-2-oxoethyl]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-(2-oxo-2-quinazolin-2-ylethyl)thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-(2-oxo-2-quinoxalin-2-ylethyl)thiophene-3-carboxylic acid;2-(4-methylphenyl)-4-(quinoline-2-carbonylamino)thiophene-3-carboxylic acid
PubChem CID159094794
Molecular FormulaC169H109BrCl6N18O24S8
Molecular Weight3324.99 g/mol
Exact Mass3318.29
IUPAC Name4-[2-(1,2,4-benzotriazin-3-yl)-2-oxoethyl]-2-(4-chlorophenyl)thiophene-3-carboxylic acid;2-(4-bromophenyl)-4-(quinoxaline-2-carbonylamino)thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-(2-cinnolin-3-yl-2-oxoethyl)thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[2-(5-methylquinoxalin-2-yl)-2-oxoethyl]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[2-(8-methylquinoxalin-2-yl)-2-oxoethyl]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-(2-oxo-2-quinazolin-2-ylethyl)thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-(2-oxo-2-quinoxalin-2-ylethyl)thiophene-3-carboxylic acid;2-(4-methylphenyl)-4-(quinoline-2-carbonylamino)thiophene-3-carboxylic acid
SMILESCc1ccc(-c2scc(NC(=O)c3ccc4ccccc4n3)c2C(=O)O)cc1.Cc1cccc2nc(C(=O)Cc3csc(-c4ccc(Cl)cc4)c3C(=O)O)cnc12.Cc1cccc2ncc(C(=O)Cc3csc(-c4ccc(Cl)cc4)c3C(=O)O)nc12.O=C(Cc1csc(-c2ccc(Cl)cc2)c1C(=O)O)c1cc2ccccc2nn1.O=C(Cc1csc(-c2ccc(Cl)cc2)c1C(=O)O)c1cnc2ccccc2n1.O=C(Cc1csc(-c2ccc(Cl)cc2)c1C(=O)O)c1ncc2ccccc2n1.O=C(Cc1csc(-c2ccc(Cl)cc2)c1C(=O)O)c1nnc2ccccc2n1.O=C(Nc1csc(-c2ccc(Br)cc2)c1C(=O)O)c1cnc2ccccc2n1
InChIInChI=1S/2C22H15ClN2O3S.C22H16N2O3S.3C21H13ClN2O3S.C20H12BrN3O3S.C20H12ClN3O3S/c1-12-3-2-4-16-20(12)24-10-17(25-16)18(26)9-14-11-29-21(19(14)22(27)28)13-5-7-15(23)8-6-13;1-12-3-2-4-16-20(12)25-17(10-24-16)18(26)9-14-11-29-21(19(14)22(27)28)13-5-7-15(23)8-6-13;1-13-6-8-15(9-7-13)20-19(22(26)27)18(12-28-20)24-21(25)17-11-10-14-4-2-3-5-16(14)23-17;22-14-7-5-12(6-8-14)20-19(21(26)27)13(11-28-20)9-18(25)17-10-23-15-3-1-2-4-16(15)24-17;22-15-7-5-12(6-8-15)19-18(21(26)27)14(11-28-19)9-17(25)20-23-10-13-3-1-2-4-16(13)24-20;22-15-7-5-12(6-8-15)20-19(21(26)27)14(11-28-20)10-18(25)17-9-13-3-1-2-4-16(13)23-24-17;21-12-7-5-11(6-8-12)18-17(20(26)27)16(10-28-18)24-19(25)15-9-22-13-3-1-2-4-14(13)23-15;21-13-7-5-11(6-8-13)18-17(20(26)27)12(10-28-18)9-16(25)19-22-14-3-1-2-4-15(14)23-24-19/h2*2-8,10-11H,9H2,1H3,(H,27,28);2-12H,1H3,(H,24,25)(H,26,27);2*1-8,10-11H,9H2,(H,26,27);1-9,11H,10H2,(H,26,27);1-10H,(H,24,25)(H,26,27);1-8,10H,9H2,(H,26,27)
InChIKeyKCNKXCSYOWLAJP-UHFFFAOYSA-N
XLogP41.12
TPSA665.26 Ų
H-Bond Donors10
H-Bond Acceptors40
Rotatable Bonds38
Heavy Atoms226
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003324.99
LogP ≤ 541.12
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1040

Analyze 4-[2-(1,2,4-benzotriazin-3-yl)-2-oxoethyl]-2-(4-chlorophenyl)thiophene-3-carboxylic acid;2-(4-bromophenyl)-4-(quinoxaline-2-carbonylamino)thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-(2-cinnolin-3-yl-2-oxoethyl)thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[2-(5-methylquinoxalin-2-yl)-2-oxoethyl]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[2-(8-methylquinoxalin-2-yl)-2-oxoethyl]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-(2-oxo-2-quinazolin-2-ylethyl)thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-(2-oxo-2-quinoxalin-2-ylethyl)thiophene-3-carboxylic acid;2-(4-methylphenyl)-4-(quinoline-2-carbonylamino)thiophene-3-carboxylic acid with MolForge

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Related Compounds

2-(4-Bromophenyl)-4-[(3-fluoro-8-methylimidazo[1,2-a]pyridine-2-carbonyl)amino]thiophene-3-carboxylic acid;2-(4-bromophenyl)-4-(imidazo[1,2-a]pyridine-2-carbonylamino)thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[2-(3-fluoro-5-methylimidazo[1,2-a]pyridin-2-yl)-2-oxoethyl]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-(2-imidazo[1,2-a]pyridin-2-yl-2-oxoethyl)thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-(indolizine-2-carbonylamino)thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-(indolizine-6-carbonylamino)thiophene-3-carboxylic acid
CID 157199491
4-Benzamido-2-(4-chlorophenyl)thiophene-3-carboxylic acid;2-(4-bromophenyl)-4-(pyridine-3-carbonylamino)thiophene-3-carboxylic acid;tert-butyl 2-(4-bromophenyl)-4-(pyrazine-2-carbonylamino)thiophene-3-carboxylate;4-[(2-chloro-6-methylpyridine-3-carbonyl)amino]-2-(4-chlorophenyl)thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[(2,6-dimethoxypyridine-3-carbonyl)amino]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[2-(5-methylpyrazin-2-yl)-2-oxoethyl]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[2-(6-methylpyridazin-3-yl)-2-oxoethyl]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[2-(2-methylpyrimidin-5-yl)-2-oxoethyl]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[2-(5-methylpyrimidin-2-yl)-2-oxoethyl]thiophene-3-carboxylic acid
CID 157270102
2-[2-(1,2,4-Benzotriazin-3-yl)-2-oxoethyl]-4-(4-chlorophenyl)thiophene-3-carboxylic acid;4-(4-bromophenyl)-2-(quinoxaline-2-carbonylamino)thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-(2-cinnolin-3-yl-2-oxoethyl)thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[2-(5-methylquinoxalin-2-yl)-2-oxoethyl]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[2-(8-methylquinoxalin-2-yl)-2-oxoethyl]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-(2-oxo-2-quinazolin-2-ylethyl)thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-(2-oxo-2-quinoxalin-2-ylethyl)thiophene-3-carboxylic acid
CID 157990298
Bis(2-(4-bromophenyl)-4-[(6-methylpyridine-3-carbonyl)amino]thiophene-3-carboxylic acid);2-(4-bromophenyl)-4-(pyrazine-2-carbonylamino)thiophene-3-carboxylic acid;2-(4-bromophenyl)-4-(pyrimidine-5-carbonylamino)thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[(4-methylbenzoyl)amino]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[2-oxo-2-(4-phenylpyrimidin-2-yl)ethyl]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[2-oxo-2-(5-phenylpyrimidin-2-yl)ethyl]thiophene-3-carboxylic acid;2-(3,4-dichlorophenyl)-4-[(6-phenoxypyridine-3-carbonyl)amino]thiophene-3-carboxylic acid
CID 158649282
2-[2-(1,2,4-Benzotriazin-3-yl)-2-oxoethyl]-4-(4-chlorophenyl)thiophene-3-carboxylic acid;4-(4-bromophenyl)-2-(quinoxaline-2-carbonylamino)thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-(2-cinnolin-3-yl-2-oxoethyl)thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[2-(5-methylquinoxalin-2-yl)-2-oxoethyl]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[2-(8-methylquinoxalin-2-yl)-2-oxoethyl]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-(2-oxo-2-quinazolin-2-ylethyl)thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-(2-oxo-2-quinoxalin-2-ylethyl)thiophene-3-carboxylic acid;4-(4-methylphenyl)-2-(quinoline-2-carbonylamino)thiophene-3-carboxylic acid
CID 159161758
2-(1,2,4-Benzotriazine-3-carbonylamino)-4-(4-chlorophenyl)thiophene-3-carboxylic acid;4-(4-bromophenyl)-2-(quinoxaline-2-carbonylamino)thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-(cinnoline-3-carbonylamino)thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[(5-methylquinoxaline-2-carbonyl)amino]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[(8-methylquinoxaline-2-carbonyl)amino]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-(quinazoline-2-carbonylamino)thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-(quinoxaline-2-carbonylamino)thiophene-3-carboxylic acid
CID 160694630
2-(4-Bromophenyl)-4-[(3-fluoro-8-methylindolizine-2-carbonyl)amino]thiophene-3-carboxylic acid;2-(4-bromophenyl)-4-(imidazo[1,2-a]pyridine-2-carbonylamino)thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[2-(3-fluoro-5-methylimidazo[1,2-a]pyridin-2-yl)-2-oxoethyl]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[2-(3-fluoro-8-methylimidazo[1,2-a]pyridin-2-yl)-2-oxoethyl]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-(2-imidazo[1,2-a]pyridin-2-yl-2-oxoethyl)thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-(indolizine-2-carbonylamino)thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-(indolizine-6-carbonylamino)thiophene-3-carboxylic acid
CID 161375791
4-(4-Bromophenyl)-2-(quinoline-2-carbonylamino)thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[2-(8-methylquinoxalin-2-yl)-2-oxoethyl]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-(2-oxo-2-quinolin-2-ylethyl)thiophene-3-carboxylic acid;4-(2,3-difluoro-4-methylphenyl)-2-(2-oxo-2-quinoxalin-2-ylethyl)thiophene-3-carboxylic acid;4-(4-methylphenyl)-2-(quinoline-2-carbonylamino)thiophene-3-carboxylic acid
CID 161734900
2-(4-Bromophenyl)-4-(quinoline-2-carbonylamino)thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[2-(8-methylquinoxalin-2-yl)-2-oxoethyl]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-(2-oxo-2-quinolin-2-ylethyl)thiophene-3-carboxylic acid;2-(2,3-difluoro-4-methylphenyl)-4-(2-oxo-2-quinoxalin-2-ylethyl)thiophene-3-carboxylic acid
CID 161907308

Frequently Asked Questions

What is the IUPAC name of 4-[2-(1,2,4-benzotriazin-3-yl)-2-oxoethyl]-2-(4-chlorophenyl)thiophene-3-carboxylic acid;2-(4-bromophenyl)-4-(quinoxaline-2-carbonylamino)thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-(2-cinnolin-3-yl-2-oxoethyl)thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[2-(5-methylquinoxalin-2-yl)-2-oxoethyl]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[2-(8-methylquinoxalin-2-yl)-2-oxoethyl]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-(2-oxo-2-quinazolin-2-ylethyl)thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-(2-oxo-2-quinoxalin-2-ylethyl)thiophene-3-carboxylic acid;2-(4-methylphenyl)-4-(quinoline-2-carbonylamino)thiophene-3-carboxylic acid?
The IUPAC name of 4-[2-(1,2,4-benzotriazin-3-yl)-2-oxoethyl]-2-(4-chlorophenyl)thiophene-3-carboxylic acid;2-(4-bromophenyl)-4-(quinoxaline-2-carbonylamino)thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-(2-cinnolin-3-yl-2-oxoethyl)thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[2-(5-methylquinoxalin-2-yl)-2-oxoethyl]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[2-(8-methylquinoxalin-2-yl)-2-oxoethyl]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-(2-oxo-2-quinazolin-2-ylethyl)thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-(2-oxo-2-quinoxalin-2-ylethyl)thiophene-3-carboxylic acid;2-(4-methylphenyl)-4-(quinoline-2-carbonylamino)thiophene-3-carboxylic acid (CID 159094794) is 4-[2-(1,2,4-benzotriazin-3-yl)-2-oxoethyl]-2-(4-chlorophenyl)thiophene-3-carboxylic acid;2-(4-bromophenyl)-4-(quinoxaline-2-carbonylamino)thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-(2-cinnolin-3-yl-2-oxoethyl)thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[2-(5-methylquinoxalin-2-yl)-2-oxoethyl]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[2-(8-methylquinoxalin-2-yl)-2-oxoethyl]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-(2-oxo-2-quinazolin-2-ylethyl)thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-(2-oxo-2-quinoxalin-2-ylethyl)thiophene-3-carboxylic acid;2-(4-methylphenyl)-4-(quinoline-2-carbonylamino)thiophene-3-carboxylic acid.
What is the SMILES notation for 4-[2-(1,2,4-benzotriazin-3-yl)-2-oxoethyl]-2-(4-chlorophenyl)thiophene-3-carboxylic acid;2-(4-bromophenyl)-4-(quinoxaline-2-carbonylamino)thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-(2-cinnolin-3-yl-2-oxoethyl)thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[2-(5-methylquinoxalin-2-yl)-2-oxoethyl]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[2-(8-methylquinoxalin-2-yl)-2-oxoethyl]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-(2-oxo-2-quinazolin-2-ylethyl)thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-(2-oxo-2-quinoxalin-2-ylethyl)thiophene-3-carboxylic acid;2-(4-methylphenyl)-4-(quinoline-2-carbonylamino)thiophene-3-carboxylic acid?
The canonical SMILES for 4-[2-(1,2,4-benzotriazin-3-yl)-2-oxoethyl]-2-(4-chlorophenyl)thiophene-3-carboxylic acid;2-(4-bromophenyl)-4-(quinoxaline-2-carbonylamino)thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-(2-cinnolin-3-yl-2-oxoethyl)thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[2-(5-methylquinoxalin-2-yl)-2-oxoethyl]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[2-(8-methylquinoxalin-2-yl)-2-oxoethyl]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-(2-oxo-2-quinazolin-2-ylethyl)thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-(2-oxo-2-quinoxalin-2-ylethyl)thiophene-3-carboxylic acid;2-(4-methylphenyl)-4-(quinoline-2-carbonylamino)thiophene-3-carboxylic acid is Cc1ccc(-c2scc(NC(=O)c3ccc4ccccc4n3)c2C(=O)O)cc1.Cc1cccc2nc(C(=O)Cc3csc(-c4ccc(Cl)cc4)c3C(=O)O)cnc12.Cc1cccc2ncc(C(=O)Cc3csc(-c4ccc(Cl)cc4)c3C(=O)O)nc12.O=C(Cc1csc(-c2ccc(Cl)cc2)c1C(=O)O)c1cc2ccccc2nn1.O=C(Cc1csc(-c2ccc(Cl)cc2)c1C(=O)O)c1cnc2ccccc2n1.O=C(Cc1csc(-c2ccc(Cl)cc2)c1C(=O)O)c1ncc2ccccc2n1.O=C(Cc1csc(-c2ccc(Cl)cc2)c1C(=O)O)c1nnc2ccccc2n1.O=C(Nc1csc(-c2ccc(Br)cc2)c1C(=O)O)c1cnc2ccccc2n1.
What is the InChIKey of 4-[2-(1,2,4-benzotriazin-3-yl)-2-oxoethyl]-2-(4-chlorophenyl)thiophene-3-carboxylic acid;2-(4-bromophenyl)-4-(quinoxaline-2-carbonylamino)thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-(2-cinnolin-3-yl-2-oxoethyl)thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[2-(5-methylquinoxalin-2-yl)-2-oxoethyl]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[2-(8-methylquinoxalin-2-yl)-2-oxoethyl]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-(2-oxo-2-quinazolin-2-ylethyl)thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-(2-oxo-2-quinoxalin-2-ylethyl)thiophene-3-carboxylic acid;2-(4-methylphenyl)-4-(quinoline-2-carbonylamino)thiophene-3-carboxylic acid?
The InChIKey is KCNKXCSYOWLAJP-UHFFFAOYSA-N. The full InChI is InChI=1S/2C22H15ClN2O3S.C22H16N2O3S.3C21H13ClN2O3S.C20H12BrN3O3S.C20H12ClN3O3S/c1-12-3-2-4-16-20(12)24-10-17(25-16)18(26)9-14-11-29-21(19(14)22(27)28)13-5-7-15(23)8-6-13;1-12-3-2-4-16-20(12)25-17(10-24-16)18(26)9-14-11-29-21(19(14)22(27)28)13-5-7-15(23)8-6-13;1-13-6-8-15(9-7-13)20-19(22(26)27)18(12-28-20)24-21(25)17-11-10-14-4-2-3-5-16(14)23-17;22-14-7-5-12(6-8-14)20-19(21(26)27)13(11-28-20)9-18(25)17-10-23-15-3-1-2-4-16(15)24-17;22-15-7-5-12(6-8-15)19-18(21(26)27)14(11-28-19)9-17(25)20-23-10-13-3-1-2-4-16(13)24-20;22-15-7-5-12(6-8-15)20-19(21(26)27)14(11-28-20)10-18(25)17-9-13-3-1-2-4-16(13)23-24-17;21-12-7-5-11(6-8-12)18-17(20(26)27)16(10-28-18)24-19(25)15-9-22-13-3-1-2-4-14(13)23-15;21-13-7-5-11(6-8-13)18-17(20(26)27)12(10-28-18)9-16(25)19-22-14-3-1-2-4-15(14)23-24-19/h2*2-8,10-11H,9H2,1H3,(H,27,28);2-12H,1H3,(H,24,25)(H,26,27);2*1-8,10-11H,9H2,(H,26,27);1-9,11H,10H2,(H,26,27);1-10H,(H,24,25)(H,26,27);1-8,10H,9H2,(H,26,27).
What are the key properties of 4-[2-(1,2,4-benzotriazin-3-yl)-2-oxoethyl]-2-(4-chlorophenyl)thiophene-3-carboxylic acid;2-(4-bromophenyl)-4-(quinoxaline-2-carbonylamino)thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-(2-cinnolin-3-yl-2-oxoethyl)thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[2-(5-methylquinoxalin-2-yl)-2-oxoethyl]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[2-(8-methylquinoxalin-2-yl)-2-oxoethyl]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-(2-oxo-2-quinazolin-2-ylethyl)thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-(2-oxo-2-quinoxalin-2-ylethyl)thiophene-3-carboxylic acid;2-(4-methylphenyl)-4-(quinoline-2-carbonylamino)thiophene-3-carboxylic acid?
4-[2-(1,2,4-benzotriazin-3-yl)-2-oxoethyl]-2-(4-chlorophenyl)thiophene-3-carboxylic acid;2-(4-bromophenyl)-4-(quinoxaline-2-carbonylamino)thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-(2-cinnolin-3-yl-2-oxoethyl)thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[2-(5-methylquinoxalin-2-yl)-2-oxoethyl]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[2-(8-methylquinoxalin-2-yl)-2-oxoethyl]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-(2-oxo-2-quinazolin-2-ylethyl)thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-(2-oxo-2-quinoxalin-2-ylethyl)thiophene-3-carboxylic acid;2-(4-methylphenyl)-4-(quinoline-2-carbonylamino)thiophene-3-carboxylic acid has a molecular weight of 3324.99 g/mol, XLogP of 41.12, 38 rotatable bonds, 10 hydrogen bond donors, and 40 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(1,2,4-benzotriazin-3-yl)-2-oxoethyl]-2-(4-chlorophenyl)thiophene-3-carboxylic acid;2-(4-bromophenyl)-4-(quinoxaline-2-carbonylamino)thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-(2-cinnolin-3-yl-2-oxoethyl)thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[2-(5-methylquinoxalin-2-yl)-2-oxoethyl]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[2-(8-methylquinoxalin-2-yl)-2-oxoethyl]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-(2-oxo-2-quinazolin-2-ylethyl)thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-(2-oxo-2-quinoxalin-2-ylethyl)thiophene-3-carboxylic acid;2-(4-methylphenyl)-4-(quinoline-2-carbonylamino)thiophene-3-carboxylic acid is sourced from PubChem (CID 159094794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).