2-(1-benzofuran-2-yl)-3-[6-(difluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]quinoxaline-6-carboxylic acid;2-(1-benzofuran-2-yl)-3-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)quinoxaline-6-carboxylic acid;2-(1-benzofuran-2-yl)-3-[6-(trifluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]quinoxaline-6-carboxylic acid;2-(1H-indol-5-yl)-3-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)quinoxaline-6-carboxylic acid;2-(1H-indol-5-yl)-3-[6-(trifluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]quinoxaline-6-carboxylic acid

C135H99F8N17O18 — CID 160699930

IUPAC2-(1-benzofuran-2-yl)-3-[6-(difluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]quinoxaline-6-carboxylic acid;2-(1-benzofuran-2-yl)-3-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)quinoxaline-6-carboxylic acid;2-(1-benzofuran-2-yl)-3-[6-(trifluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]quinoxaline-6-carboxylic acid;2-(1H-indol-5-yl)-3-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)quinoxaline-6-carboxylic acid;2-(1H-indol-5-yl)-3-[6-(trifluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]quinoxaline-6-carboxylic acid
SMILESCOc1ccc2c(c1)CCCN2c1nc2cc(C(=O)O)ccc2nc1-c1cc2ccccc2o1.COc1ccc2c(c1)CCCN2c1nc2cc(C(=O)O)ccc2nc1-c1ccc2[nH]ccc2c1.O=C(O)c1ccc2nc(-c3cc4ccccc4o3)c(N3CCCc4cc(OC(F)(F)F)ccc43)nc2c1.O=C(O)c1ccc2nc(-c3cc4ccccc4o3)c(N3CCCc4cc(OC(F)F)ccc43)nc2c1.O=C(O)c1ccc2nc(-c3ccc4[nH]ccc4c3)c(N3CCCc4cc(OC(F)(F)F)ccc43)nc2c1
InChIInChI=1S/C27H19F3N4O3.C27H18F3N3O4.C27H19F2N3O4.C27H22N4O3.C27H21N3O4/c28-27(29,30)37-19-5-8-23-16(13-19)2-1-11-34(23)25-24(17-3-6-20-15(12-17)9-10-31-20)32-21-7-4-18(26(35)36)14-22(21)33-25;28-27(29,30)37-18-8-10-21-15(12-18)5-3-11-33(21)25-24(23-14-16-4-1-2-6-22(16)36-23)31-19-9-7-17(26(34)35)13-20(19)32-25;28-27(29)35-18-8-10-21-15(12-18)5-3-11-32(21)25-24(23-14-16-4-1-2-6-22(16)36-23)30-19-9-7-17(26(33)34)13-20(19)31-25;1-34-20-6-9-24-17(14-20)3-2-12-31(24)26-25(18-4-7-21-16(13-18)10-11-28-21)29-22-8-5-19(27(32)33)15-23(22)30-26;1-33-19-9-11-22-16(13-19)6-4-12-30(22)26-25(24-15-17-5-2-3-7-23(17)34-24)28-20-10-8-18(27(31)32)14-21(20)29-26/h3-10,12-14,31H,1-2,11H2,(H,35,36);1-2,4,6-10,12-14H,3,5,11H2,(H,34,35);1-2,4,6-10,12-14,27H,3,5,11H2,(H,33,34);4-11,13-15,28H,2-3,12H2,1H3,(H,32,33);2-3,5,7-11,13-15H,4,6,12H2,1H3,(H,31,32)
InChIKeyRQMHBTBNIYHANF-UHFFFAOYSA-N
MW2399.36 g/mol
LogP31.01
Rot. Bonds21

About 2-(1-benzofuran-2-yl)-3-[6-(difluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]quinoxaline-6-carboxylic acid;2-(1-benzofuran-2-yl)-3-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)quinoxaline-6-carboxylic acid;2-(1-benzofuran-2-yl)-3-[6-(trifluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]quinoxaline-6-carboxylic acid;2-(1H-indol-5-yl)-3-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)quinoxaline-6-carboxylic acid;2-(1H-indol-5-yl)-3-[6-(trifluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]quinoxaline-6-carboxylic acid

2-(1-benzofuran-2-yl)-3-[6-(difluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]quinoxaline-6-carboxylic acid;2-(1-benzofuran-2-yl)-3-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)quinoxaline-6-carboxylic acid;2-(1-benzofuran-2-yl)-3-[6-(trifluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]quinoxaline-6-carboxylic acid;2-(1H-indol-5-yl)-3-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)quinoxaline-6-carboxylic acid;2-(1H-indol-5-yl)-3-[6-(trifluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]quinoxaline-6-carboxylic acid (PubChem CID 160699930) has the molecular formula C135H99F8N17O18 and a molecular weight of 2399.36 g/mol. Its IUPAC name is 2-(1-benzofuran-2-yl)-3-[6-(difluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]quinoxaline-6-carboxylic acid;2-(1-benzofuran-2-yl)-3-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)quinoxaline-6-carboxylic acid;2-(1-benzofuran-2-yl)-3-[6-(trifluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]quinoxaline-6-carboxylic acid;2-(1H-indol-5-yl)-3-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)quinoxaline-6-carboxylic acid;2-(1H-indol-5-yl)-3-[6-(trifluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]quinoxaline-6-carboxylic acid.

Molecular Properties

Compound Name2-(1-benzofuran-2-yl)-3-[6-(difluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]quinoxaline-6-carboxylic acid;2-(1-benzofuran-2-yl)-3-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)quinoxaline-6-carboxylic acid;2-(1-benzofuran-2-yl)-3-[6-(trifluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]quinoxaline-6-carboxylic acid;2-(1H-indol-5-yl)-3-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)quinoxaline-6-carboxylic acid;2-(1H-indol-5-yl)-3-[6-(trifluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]quinoxaline-6-carboxylic acid
PubChem CID160699930
Molecular FormulaC135H99F8N17O18
Molecular Weight2399.36 g/mol
Exact Mass2397.72
IUPAC Name2-(1-benzofuran-2-yl)-3-[6-(difluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]quinoxaline-6-carboxylic acid;2-(1-benzofuran-2-yl)-3-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)quinoxaline-6-carboxylic acid;2-(1-benzofuran-2-yl)-3-[6-(trifluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]quinoxaline-6-carboxylic acid;2-(1H-indol-5-yl)-3-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)quinoxaline-6-carboxylic acid;2-(1H-indol-5-yl)-3-[6-(trifluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]quinoxaline-6-carboxylic acid
SMILESCOc1ccc2c(c1)CCCN2c1nc2cc(C(=O)O)ccc2nc1-c1cc2ccccc2o1.COc1ccc2c(c1)CCCN2c1nc2cc(C(=O)O)ccc2nc1-c1ccc2[nH]ccc2c1.O=C(O)c1ccc2nc(-c3cc4ccccc4o3)c(N3CCCc4cc(OC(F)(F)F)ccc43)nc2c1.O=C(O)c1ccc2nc(-c3cc4ccccc4o3)c(N3CCCc4cc(OC(F)F)ccc43)nc2c1.O=C(O)c1ccc2nc(-c3ccc4[nH]ccc4c3)c(N3CCCc4cc(OC(F)(F)F)ccc43)nc2c1
InChIInChI=1S/C27H19F3N4O3.C27H18F3N3O4.C27H19F2N3O4.C27H22N4O3.C27H21N3O4/c28-27(29,30)37-19-5-8-23-16(13-19)2-1-11-34(23)25-24(17-3-6-20-15(12-17)9-10-31-20)32-21-7-4-18(26(35)36)14-22(21)33-25;28-27(29,30)37-18-8-10-21-15(12-18)5-3-11-33(21)25-24(23-14-16-4-1-2-6-22(16)36-23)31-19-9-7-17(26(34)35)13-20(19)32-25;28-27(29)35-18-8-10-21-15(12-18)5-3-11-32(21)25-24(23-14-16-4-1-2-6-22(16)36-23)30-19-9-7-17(26(33)34)13-20(19)31-25;1-34-20-6-9-24-17(14-20)3-2-12-31(24)26-25(18-4-7-21-16(13-18)10-11-28-21)29-22-8-5-19(27(32)33)15-23(22)30-26;1-33-19-9-11-22-16(13-19)6-4-12-30(22)26-25(24-15-17-5-2-3-7-23(17)34-24)28-20-10-8-18(27(31)32)14-21(20)29-26/h3-10,12-14,31H,1-2,11H2,(H,35,36);1-2,4,6-10,12-14H,3,5,11H2,(H,34,35);1-2,4,6-10,12-14,27H,3,5,11H2,(H,33,34);4-11,13-15,28H,2-3,12H2,1H3,(H,32,33);2-3,5,7-11,13-15H,4,6,12H2,1H3,(H,31,32)
InChIKeyRQMHBTBNIYHANF-UHFFFAOYSA-N
XLogP31.01
TPSA448.75 Ų
H-Bond Donors7
H-Bond Acceptors28
Rotatable Bonds21
Heavy Atoms178
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002399.36
LogP ≤ 531.01
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1028

Analyze 2-(1-benzofuran-2-yl)-3-[6-(difluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]quinoxaline-6-carboxylic acid;2-(1-benzofuran-2-yl)-3-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)quinoxaline-6-carboxylic acid;2-(1-benzofuran-2-yl)-3-[6-(trifluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]quinoxaline-6-carboxylic acid;2-(1H-indol-5-yl)-3-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)quinoxaline-6-carboxylic acid;2-(1H-indol-5-yl)-3-[6-(trifluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]quinoxaline-6-carboxylic acid with MolForge

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Related Compounds

3-[6-(difluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]-2-(1H-indol-5-yl)quinoxaline-6-carboxylic acid
CID 70645708
2-(5-chloro-1-benzofuran-2-yl)-3-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)quinoxaline-6-carboxylic acid;2-(5-chloro-1-benzofuran-2-yl)-3-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)quinoxaline-6-carboxylic acid;3-[6-(difluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]-2-(1H-indazol-5-yl)quinoxaline-6-carboxylic acid;2-(1H-indazol-5-yl)-3-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)quinoxaline-6-carboxylic acid;2-(1H-indazol-5-yl)-3-[6-(trifluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]quinoxaline-6-carboxylic acid
CID 157963210
2-(1-benzofuran-2-yl)-3-[7-(difluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]quinoxaline-6-carboxylic acid;2-(2,2-difluoro-1,3-benzodioxol-5-yl)-3-[6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]quinoxaline-6-carboxylic acid;3-(7-fluoro-3,4-dihydro-2H-quinolin-1-yl)-2-(1H-indazol-5-yl)quinoxaline-6-carboxylic acid;3-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)-2-(3-methyl-2H-indazol-5-yl)quinoxaline-6-carboxylic acid;2-(3-methyl-2H-indazol-5-yl)-3-[6-(trifluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]quinoxaline-6-carboxylic acid
CID 158594663
Benzyl 5-(1-amino-2-methylindolizine-3-carbonyl)-2-[(2,2,2-trifluoroacetyl)amino]benzoate;3-[2-[2-[[2-(3-carboxyphenoxy)acetyl]amino]ethylamino]-2-oxoethoxy]benzoic acid;methane;methyl 2-amino-5-(1-aminoimidazo[1,5-a]pyridine-3-carbonyl)benzoate;methyl 2-amino-5-[1-[[3-[2-[2-[[2-[3-[[2-methyl-3-[3-phenylmethoxycarbonyl-4-(trifluoromethoxymethylideneamino)benzoyl]indolizin-1-yl]carbamoyl]phenoxy]acetyl]amino]ethylamino]-2-oxoethoxy]benzoyl]amino]imidazo[1,5-a]pyridine-3-carbonyl]benzoate;3-[2-[2-[[2-[3-[[2-methyl-3-[3-phenylmethoxycarbonyl-4-(trifluoromethoxymethylideneamino)benzoyl]indolizin-1-yl]carbamoyl]phenoxy]acetyl]amino]ethylamino]-2-oxoethoxy]benzoic acid
CID 159240990
2-[[7-[6-(2,2-difluoropropoxy)-3-pyridinyl]quinolin-5-yl]oxymethyl]pyridine-3-carboxamide;(4R)-4-[(1R)-1-[7-(2,4-dimethylquinazolin-6-yl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[7-(2-methyl-3H-benzimidazol-5-yl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one;2-[[7-(2-methyl-3H-benzimidazol-5-yl)quinolin-5-yl]oxymethyl]pyridine-3-carboxamide;(4R)-4-[(1R)-1-[7-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one
CID 159583714
CID 160240545
CID 160240545
2-(1-benzofuran-2-yl)-3-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)quinoxaline-6-carboxylic acid;2-(1-benzofuran-2-yl)-3-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)quinoxaline-6-carboxylic acid;3-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-2-(1H-indol-2-yl)quinoxaline-6-carboxylic acid;2-(5-fluoro-1-benzofuran-2-yl)-3-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)quinoxaline-6-carboxylic acid;2-(5-fluoro-1-benzofuran-2-yl)-3-[6-(trifluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]quinoxaline-6-carboxylic acid
CID 160565423
5-(3,5-difluorophenyl)-6-[(3R)-3-hydroxypyrrolidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;5-[3-fluoro-5-(2-hydroxypropan-2-yl)phenyl]-6-[(3R)-3-hydroxypyrrolidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;5-(3-fluorophenyl)-6-[(3R)-3-hydroxypyrrolidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;5-[3-(hydroxymethyl)phenyl]-6-[(3R)-3-hydroxypyrrolidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-[(3R)-3-hydroxypyrrolidin-1-yl]-5-phenyl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-[(3R)-3-hydroxypyrrolidin-1-yl]-5-quinoxalin-6-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;methyl 3-fluoro-5-[2-[(3R)-3-hydroxypyrrolidin-1-yl]-5-[[4-(trifluoromethoxy)phenyl]carbamoyl]-3-pyridinyl]benzoate
CID 161212925
(4R)-4-[(1R)-1-[7-(6-cyclobutyloxy-3-pyridinyl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one;3-methyl-7-[5-[(1R)-1-[(3R)-5-oxopyrrolidin-3-yl]ethoxy]quinolin-7-yl]quinazolin-4-one;2-[[7-(3-methyl-4-oxoquinazolin-7-yl)quinolin-5-yl]oxymethyl]pyridine-3-carboxamide;(4R)-4-[(1R)-1-[7-[6-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[7-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one
CID 161686074
8-tert-butyl-2-(3-fluoro-4-methoxyphenyl)imidazo[1,2-a]pyridine;3-(8-tert-butylimidazo[1,2-a]pyridin-2-yl)phenol;8-tert-butyl-2-(1H-indol-3-yl)imidazo[1,2-a]pyridine;5-tert-butyl-2-(4-methoxyphenyl)-8aH-imidazo[1,2-a]pyridin-4-ium;8-tert-butyl-2-(3-methoxyphenyl)imidazo[1,2-a]pyridine;8-tert-butyl-2-(4-methoxyphenyl)imidazo[1,2-a]pyridine;7-tert-butyl-2-pyridin-3-yl-1,3-benzoxazole;8-tert-butyl-2-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyridine
CID 162108580
5-tert-butyl-2-cyclohexyl-1,4-dihydroisoquinolin-3-one;3-(8-tert-butylimidazo[1,2-a]pyridin-2-yl)phenol;8-tert-butyl-2-(1H-indol-3-yl)imidazo[1,2-a]pyridine;7-tert-butyl-2-(4-methoxyphenyl)-1,3-benzoxazole;5-tert-butyl-2-(4-methoxyphenyl)imidazo[1,2-a]pyridine;8-tert-butyl-2-(4-methoxyphenyl)imidazo[1,2-a]pyridine;7-tert-butyl-2-pyridin-3-yl-1,3-benzoxazole;8-tert-butyl-2-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyridine
CID 163824581
(4S)-4-[(3R)-3-amino-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-5,5,5-trifluoro-4-hydroxy-1-(8-methoxyquinolin-6-yl)pentan-1-one;bis((4S)-5,5,5-trifluoro-4-[(3R)-7-(4-fluorophenyl)-3-imidazol-1-yl-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-1-(8-methoxyquinolin-6-yl)pentan-1-one)
CID 164959769

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzofuran-2-yl)-3-[6-(difluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]quinoxaline-6-carboxylic acid;2-(1-benzofuran-2-yl)-3-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)quinoxaline-6-carboxylic acid;2-(1-benzofuran-2-yl)-3-[6-(trifluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]quinoxaline-6-carboxylic acid;2-(1H-indol-5-yl)-3-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)quinoxaline-6-carboxylic acid;2-(1H-indol-5-yl)-3-[6-(trifluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]quinoxaline-6-carboxylic acid?
The IUPAC name of 2-(1-benzofuran-2-yl)-3-[6-(difluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]quinoxaline-6-carboxylic acid;2-(1-benzofuran-2-yl)-3-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)quinoxaline-6-carboxylic acid;2-(1-benzofuran-2-yl)-3-[6-(trifluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]quinoxaline-6-carboxylic acid;2-(1H-indol-5-yl)-3-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)quinoxaline-6-carboxylic acid;2-(1H-indol-5-yl)-3-[6-(trifluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]quinoxaline-6-carboxylic acid (CID 160699930) is 2-(1-benzofuran-2-yl)-3-[6-(difluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]quinoxaline-6-carboxylic acid;2-(1-benzofuran-2-yl)-3-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)quinoxaline-6-carboxylic acid;2-(1-benzofuran-2-yl)-3-[6-(trifluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]quinoxaline-6-carboxylic acid;2-(1H-indol-5-yl)-3-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)quinoxaline-6-carboxylic acid;2-(1H-indol-5-yl)-3-[6-(trifluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]quinoxaline-6-carboxylic acid.
What is the SMILES notation for 2-(1-benzofuran-2-yl)-3-[6-(difluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]quinoxaline-6-carboxylic acid;2-(1-benzofuran-2-yl)-3-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)quinoxaline-6-carboxylic acid;2-(1-benzofuran-2-yl)-3-[6-(trifluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]quinoxaline-6-carboxylic acid;2-(1H-indol-5-yl)-3-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)quinoxaline-6-carboxylic acid;2-(1H-indol-5-yl)-3-[6-(trifluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]quinoxaline-6-carboxylic acid?
The canonical SMILES for 2-(1-benzofuran-2-yl)-3-[6-(difluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]quinoxaline-6-carboxylic acid;2-(1-benzofuran-2-yl)-3-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)quinoxaline-6-carboxylic acid;2-(1-benzofuran-2-yl)-3-[6-(trifluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]quinoxaline-6-carboxylic acid;2-(1H-indol-5-yl)-3-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)quinoxaline-6-carboxylic acid;2-(1H-indol-5-yl)-3-[6-(trifluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]quinoxaline-6-carboxylic acid is COc1ccc2c(c1)CCCN2c1nc2cc(C(=O)O)ccc2nc1-c1cc2ccccc2o1.COc1ccc2c(c1)CCCN2c1nc2cc(C(=O)O)ccc2nc1-c1ccc2[nH]ccc2c1.O=C(O)c1ccc2nc(-c3cc4ccccc4o3)c(N3CCCc4cc(OC(F)(F)F)ccc43)nc2c1.O=C(O)c1ccc2nc(-c3cc4ccccc4o3)c(N3CCCc4cc(OC(F)F)ccc43)nc2c1.O=C(O)c1ccc2nc(-c3ccc4[nH]ccc4c3)c(N3CCCc4cc(OC(F)(F)F)ccc43)nc2c1.
What is the InChIKey of 2-(1-benzofuran-2-yl)-3-[6-(difluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]quinoxaline-6-carboxylic acid;2-(1-benzofuran-2-yl)-3-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)quinoxaline-6-carboxylic acid;2-(1-benzofuran-2-yl)-3-[6-(trifluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]quinoxaline-6-carboxylic acid;2-(1H-indol-5-yl)-3-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)quinoxaline-6-carboxylic acid;2-(1H-indol-5-yl)-3-[6-(trifluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]quinoxaline-6-carboxylic acid?
The InChIKey is RQMHBTBNIYHANF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H19F3N4O3.C27H18F3N3O4.C27H19F2N3O4.C27H22N4O3.C27H21N3O4/c28-27(29,30)37-19-5-8-23-16(13-19)2-1-11-34(23)25-24(17-3-6-20-15(12-17)9-10-31-20)32-21-7-4-18(26(35)36)14-22(21)33-25;28-27(29,30)37-18-8-10-21-15(12-18)5-3-11-33(21)25-24(23-14-16-4-1-2-6-22(16)36-23)31-19-9-7-17(26(34)35)13-20(19)32-25;28-27(29)35-18-8-10-21-15(12-18)5-3-11-32(21)25-24(23-14-16-4-1-2-6-22(16)36-23)30-19-9-7-17(26(33)34)13-20(19)31-25;1-34-20-6-9-24-17(14-20)3-2-12-31(24)26-25(18-4-7-21-16(13-18)10-11-28-21)29-22-8-5-19(27(32)33)15-23(22)30-26;1-33-19-9-11-22-16(13-19)6-4-12-30(22)26-25(24-15-17-5-2-3-7-23(17)34-24)28-20-10-8-18(27(31)32)14-21(20)29-26/h3-10,12-14,31H,1-2,11H2,(H,35,36);1-2,4,6-10,12-14H,3,5,11H2,(H,34,35);1-2,4,6-10,12-14,27H,3,5,11H2,(H,33,34);4-11,13-15,28H,2-3,12H2,1H3,(H,32,33);2-3,5,7-11,13-15H,4,6,12H2,1H3,(H,31,32).
What are the key properties of 2-(1-benzofuran-2-yl)-3-[6-(difluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]quinoxaline-6-carboxylic acid;2-(1-benzofuran-2-yl)-3-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)quinoxaline-6-carboxylic acid;2-(1-benzofuran-2-yl)-3-[6-(trifluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]quinoxaline-6-carboxylic acid;2-(1H-indol-5-yl)-3-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)quinoxaline-6-carboxylic acid;2-(1H-indol-5-yl)-3-[6-(trifluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]quinoxaline-6-carboxylic acid?
2-(1-benzofuran-2-yl)-3-[6-(difluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]quinoxaline-6-carboxylic acid;2-(1-benzofuran-2-yl)-3-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)quinoxaline-6-carboxylic acid;2-(1-benzofuran-2-yl)-3-[6-(trifluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]quinoxaline-6-carboxylic acid;2-(1H-indol-5-yl)-3-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)quinoxaline-6-carboxylic acid;2-(1H-indol-5-yl)-3-[6-(trifluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]quinoxaline-6-carboxylic acid has a molecular weight of 2399.36 g/mol, XLogP of 31.01, 21 rotatable bonds, 7 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzofuran-2-yl)-3-[6-(difluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]quinoxaline-6-carboxylic acid;2-(1-benzofuran-2-yl)-3-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)quinoxaline-6-carboxylic acid;2-(1-benzofuran-2-yl)-3-[6-(trifluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]quinoxaline-6-carboxylic acid;2-(1H-indol-5-yl)-3-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)quinoxaline-6-carboxylic acid;2-(1H-indol-5-yl)-3-[6-(trifluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]quinoxaline-6-carboxylic acid is sourced from PubChem (CID 160699930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).