2-[4-(3-bromo-1,2-oxazol-5-yl)-3-(trifluoromethyl)phenyl]-1-[5-(6-methoxy-7-methylquinolin-4-yl)oxynaphthalen-1-yl]ethanone;4-[5-[2-[4-[(2-chloroacetyl)amino]-3-(trifluoromethyl)phenyl]acetyl]naphthalen-1-yl]oxy-N-methylpyridine-2-carboxamide;2-[4-(2,4-difluoropyrimidin-5-yl)phenyl]-1-[5-(6-methoxy-7-methylquinolin-4-yl)oxynaphthalen-1-yl]ethanone;2-fluoro-N-[4-[2-[5-(6-methoxy-7-methylquinolin-4-yl)oxynaphthalen-1-yl]-2-oxoethyl]-2-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide;1-[5-[2-[5-(6-methoxy-7-methylquinolin-4-yl)oxynaphthalen-1-yl]-2-oxoethyl]-2-(trifluoromethyl)phenyl]-3-methylbut-2-en-1-one;N-methyl-4-[5-[2-[4-(3-methylbut-2-enoyl)-3-(trifluoromethyl)phenyl]acetyl]naphthalen-1-yl]oxypyridine-2-carboxamide;N-methyl-4-[5-[2-[3-(prop-2-enoylamino)-4-(trifluoromethyl)phenyl]acetyl]naphthalen-1-yl]oxypyridine-2-carboxamide;N-methyl-4-[5-[2-[4-(prop-2-enoylamino)-3-(trifluoromethyl)phenyl]acetyl]naphthalen-1-yl]oxypyridine-2-carboxamide

C252H186BrClF24N20O31S — CID 162006111

IUPAC2-[4-(3-bromo-1,2-oxazol-5-yl)-3-(trifluoromethyl)phenyl]-1-[5-(6-methoxy-7-methylquinolin-4-yl)oxynaphthalen-1-yl]ethanone;4-[5-[2-[4-[(2-chloroacetyl)amino]-3-(trifluoromethyl)phenyl]acetyl]naphthalen-1-yl]oxy-N-methylpyridine-2-carboxamide;2-[4-(2,4-difluoropyrimidin-5-yl)phenyl]-1-[5-(6-methoxy-7-methylquinolin-4-yl)oxynaphthalen-1-yl]ethanone;2-fluoro-N-[4-[2-[5-(6-methoxy-7-methylquinolin-4-yl)oxynaphthalen-1-yl]-2-oxoethyl]-2-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide;1-[5-[2-[5-(6-methoxy-7-methylquinolin-4-yl)oxynaphthalen-1-yl]-2-oxoethyl]-2-(trifluoromethyl)phenyl]-3-methylbut-2-en-1-one;N-methyl-4-[5-[2-[4-(3-methylbut-2-enoyl)-3-(trifluoromethyl)phenyl]acetyl]naphthalen-1-yl]oxypyridine-2-carboxamide;N-methyl-4-[5-[2-[3-(prop-2-enoylamino)-4-(trifluoromethyl)phenyl]acetyl]naphthalen-1-yl]oxypyridine-2-carboxamide;N-methyl-4-[5-[2-[4-(prop-2-enoylamino)-3-(trifluoromethyl)phenyl]acetyl]naphthalen-1-yl]oxypyridine-2-carboxamide
SMILESC=CC(=O)Nc1cc(CC(=O)c2cccc3c(Oc4ccnc(C(=O)NC)c4)cccc23)ccc1C(F)(F)F.C=CC(=O)Nc1ccc(CC(=O)c2cccc3c(Oc4ccnc(C(=O)NC)c4)cccc23)cc1C(F)(F)F.CNC(=O)c1cc(Oc2cccc3c(C(=O)Cc4ccc(C(=O)C=C(C)C)c(C(F)(F)F)c4)cccc23)ccn1.CNC(=O)c1cc(Oc2cccc3c(C(=O)Cc4ccc(NC(=O)CCl)c(C(F)(F)F)c4)cccc23)ccn1.COc1cc2c(Oc3cccc4c(C(=O)Cc5ccc(-c6cc(Br)no6)c(C(F)(F)F)c5)cccc34)ccnc2cc1C.COc1cc2c(Oc3cccc4c(C(=O)Cc5ccc(-c6cnc(F)nc6F)cc5)cccc34)ccnc2cc1C.COc1cc2c(Oc3cccc4c(C(=O)Cc5ccc(C(F)(F)F)c(C(=O)C=C(C)C)c5)cccc34)ccnc2cc1C.COc1cc2c(Oc3cccc4c(C(=O)Cc5ccc(NC(=O)c6cnc(F)s6)c(C(F)(F)F)c5)cccc34)ccnc2cc1C
InChIInChI=1S/C35H28F3NO4.C34H23F4N3O4S.C33H22BrF3N2O4.C33H23F2N3O3.C31H25F3N2O4.2C29H22F3N3O4.C28H21ClF3N3O4/c1-20(2)15-30(40)26-17-22(11-12-28(26)35(36,37)38)18-31(41)24-8-5-9-25-23(24)7-6-10-32(25)43-33-13-14-39-29-16-21(3)34(42-4)19-27(29)33;1-18-13-26-23(16-30(18)44-2)29(11-12-39-26)45-28-8-4-5-20-21(6-3-7-22(20)28)27(42)15-19-9-10-25(24(14-19)34(36,37)38)41-32(43)31-17-40-33(35)46-31;1-18-13-26-24(16-30(18)41-2)29(11-12-38-26)42-28-8-4-5-20-21(6-3-7-22(20)28)27(40)15-19-9-10-23(25(14-19)33(35,36)37)31-17-32(34)39-43-31;1-19-15-27-25(17-31(19)40-2)30(13-14-36-27)41-29-8-4-5-22-23(6-3-7-24(22)29)28(39)16-20-9-11-21(12-10-20)26-18-37-33(35)38-32(26)34;1-18(2)14-27(37)24-11-10-19(15-25(24)31(32,33)34)16-28(38)22-7-4-8-23-21(22)6-5-9-29(23)40-20-12-13-36-26(17-20)30(39)35-3;1-3-27(37)35-23-11-10-17(14-22(23)29(30,31)32)15-25(36)20-7-4-8-21-19(20)6-5-9-26(21)39-18-12-13-34-24(16-18)28(38)33-2;1-3-27(37)35-23-14-17(10-11-22(23)29(30,31)32)15-25(36)20-7-4-8-21-19(20)6-5-9-26(21)39-18-12-13-34-24(16-18)28(38)33-2;1-33-27(38)23-14-17(10-11-34-23)39-25-7-3-4-18-19(5-2-6-20(18)25)24(36)13-16-8-9-22(35-26(37)15-29)21(12-16)28(30,31)32/h5-17,19H,18H2,1-4H3;3-14,16-17H,15H2,1-2H3,(H,41,43);3-14,16-17H,15H2,1-2H3;3-15,17-18H,16H2,1-2H3;4-15,17H,16H2,1-3H3,(H,35,39);2*3-14,16H,1,15H2,2H3,(H,33,38)(H,35,37);2-12,14H,13,15H2,1H3,(H,33,38)(H,35,37)
InChIKeyYSVYARBHDYCYAV-UHFFFAOYSA-N
MW4593.74 g/mol
LogP59.80
Rot. Bonds62

About 2-[4-(3-bromo-1,2-oxazol-5-yl)-3-(trifluoromethyl)phenyl]-1-[5-(6-methoxy-7-methylquinolin-4-yl)oxynaphthalen-1-yl]ethanone;4-[5-[2-[4-[(2-chloroacetyl)amino]-3-(trifluoromethyl)phenyl]acetyl]naphthalen-1-yl]oxy-N-methylpyridine-2-carboxamide;2-[4-(2,4-difluoropyrimidin-5-yl)phenyl]-1-[5-(6-methoxy-7-methylquinolin-4-yl)oxynaphthalen-1-yl]ethanone;2-fluoro-N-[4-[2-[5-(6-methoxy-7-methylquinolin-4-yl)oxynaphthalen-1-yl]-2-oxoethyl]-2-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide;1-[5-[2-[5-(6-methoxy-7-methylquinolin-4-yl)oxynaphthalen-1-yl]-2-oxoethyl]-2-(trifluoromethyl)phenyl]-3-methylbut-2-en-1-one;N-methyl-4-[5-[2-[4-(3-methylbut-2-enoyl)-3-(trifluoromethyl)phenyl]acetyl]naphthalen-1-yl]oxypyridine-2-carboxamide;N-methyl-4-[5-[2-[3-(prop-2-enoylamino)-4-(trifluoromethyl)phenyl]acetyl]naphthalen-1-yl]oxypyridine-2-carboxamide;N-methyl-4-[5-[2-[4-(prop-2-enoylamino)-3-(trifluoromethyl)phenyl]acetyl]naphthalen-1-yl]oxypyridine-2-carboxamide

2-[4-(3-bromo-1,2-oxazol-5-yl)-3-(trifluoromethyl)phenyl]-1-[5-(6-methoxy-7-methylquinolin-4-yl)oxynaphthalen-1-yl]ethanone;4-[5-[2-[4-[(2-chloroacetyl)amino]-3-(trifluoromethyl)phenyl]acetyl]naphthalen-1-yl]oxy-N-methylpyridine-2-carboxamide;2-[4-(2,4-difluoropyrimidin-5-yl)phenyl]-1-[5-(6-methoxy-7-methylquinolin-4-yl)oxynaphthalen-1-yl]ethanone;2-fluoro-N-[4-[2-[5-(6-methoxy-7-methylquinolin-4-yl)oxynaphthalen-1-yl]-2-oxoethyl]-2-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide;1-[5-[2-[5-(6-methoxy-7-methylquinolin-4-yl)oxynaphthalen-1-yl]-2-oxoethyl]-2-(trifluoromethyl)phenyl]-3-methylbut-2-en-1-one;N-methyl-4-[5-[2-[4-(3-methylbut-2-enoyl)-3-(trifluoromethyl)phenyl]acetyl]naphthalen-1-yl]oxypyridine-2-carboxamide;N-methyl-4-[5-[2-[3-(prop-2-enoylamino)-4-(trifluoromethyl)phenyl]acetyl]naphthalen-1-yl]oxypyridine-2-carboxamide;N-methyl-4-[5-[2-[4-(prop-2-enoylamino)-3-(trifluoromethyl)phenyl]acetyl]naphthalen-1-yl]oxypyridine-2-carboxamide (PubChem CID 162006111) has the molecular formula C252H186BrClF24N20O31S and a molecular weight of 4593.74 g/mol. Its IUPAC name is 2-[4-(3-bromo-1,2-oxazol-5-yl)-3-(trifluoromethyl)phenyl]-1-[5-(6-methoxy-7-methylquinolin-4-yl)oxynaphthalen-1-yl]ethanone;4-[5-[2-[4-[(2-chloroacetyl)amino]-3-(trifluoromethyl)phenyl]acetyl]naphthalen-1-yl]oxy-N-methylpyridine-2-carboxamide;2-[4-(2,4-difluoropyrimidin-5-yl)phenyl]-1-[5-(6-methoxy-7-methylquinolin-4-yl)oxynaphthalen-1-yl]ethanone;2-fluoro-N-[4-[2-[5-(6-methoxy-7-methylquinolin-4-yl)oxynaphthalen-1-yl]-2-oxoethyl]-2-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide;1-[5-[2-[5-(6-methoxy-7-methylquinolin-4-yl)oxynaphthalen-1-yl]-2-oxoethyl]-2-(trifluoromethyl)phenyl]-3-methylbut-2-en-1-one;N-methyl-4-[5-[2-[4-(3-methylbut-2-enoyl)-3-(trifluoromethyl)phenyl]acetyl]naphthalen-1-yl]oxypyridine-2-carboxamide;N-methyl-4-[5-[2-[3-(prop-2-enoylamino)-4-(trifluoromethyl)phenyl]acetyl]naphthalen-1-yl]oxypyridine-2-carboxamide;N-methyl-4-[5-[2-[4-(prop-2-enoylamino)-3-(trifluoromethyl)phenyl]acetyl]naphthalen-1-yl]oxypyridine-2-carboxamide.

Molecular Properties

Compound Name2-[4-(3-bromo-1,2-oxazol-5-yl)-3-(trifluoromethyl)phenyl]-1-[5-(6-methoxy-7-methylquinolin-4-yl)oxynaphthalen-1-yl]ethanone;4-[5-[2-[4-[(2-chloroacetyl)amino]-3-(trifluoromethyl)phenyl]acetyl]naphthalen-1-yl]oxy-N-methylpyridine-2-carboxamide;2-[4-(2,4-difluoropyrimidin-5-yl)phenyl]-1-[5-(6-methoxy-7-methylquinolin-4-yl)oxynaphthalen-1-yl]ethanone;2-fluoro-N-[4-[2-[5-(6-methoxy-7-methylquinolin-4-yl)oxynaphthalen-1-yl]-2-oxoethyl]-2-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide;1-[5-[2-[5-(6-methoxy-7-methylquinolin-4-yl)oxynaphthalen-1-yl]-2-oxoethyl]-2-(trifluoromethyl)phenyl]-3-methylbut-2-en-1-one;N-methyl-4-[5-[2-[4-(3-methylbut-2-enoyl)-3-(trifluoromethyl)phenyl]acetyl]naphthalen-1-yl]oxypyridine-2-carboxamide;N-methyl-4-[5-[2-[3-(prop-2-enoylamino)-4-(trifluoromethyl)phenyl]acetyl]naphthalen-1-yl]oxypyridine-2-carboxamide;N-methyl-4-[5-[2-[4-(prop-2-enoylamino)-3-(trifluoromethyl)phenyl]acetyl]naphthalen-1-yl]oxypyridine-2-carboxamide
PubChem CID162006111
Molecular FormulaC252H186BrClF24N20O31S
Molecular Weight4593.74 g/mol
Exact Mass4589.18
IUPAC Name2-[4-(3-bromo-1,2-oxazol-5-yl)-3-(trifluoromethyl)phenyl]-1-[5-(6-methoxy-7-methylquinolin-4-yl)oxynaphthalen-1-yl]ethanone;4-[5-[2-[4-[(2-chloroacetyl)amino]-3-(trifluoromethyl)phenyl]acetyl]naphthalen-1-yl]oxy-N-methylpyridine-2-carboxamide;2-[4-(2,4-difluoropyrimidin-5-yl)phenyl]-1-[5-(6-methoxy-7-methylquinolin-4-yl)oxynaphthalen-1-yl]ethanone;2-fluoro-N-[4-[2-[5-(6-methoxy-7-methylquinolin-4-yl)oxynaphthalen-1-yl]-2-oxoethyl]-2-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide;1-[5-[2-[5-(6-methoxy-7-methylquinolin-4-yl)oxynaphthalen-1-yl]-2-oxoethyl]-2-(trifluoromethyl)phenyl]-3-methylbut-2-en-1-one;N-methyl-4-[5-[2-[4-(3-methylbut-2-enoyl)-3-(trifluoromethyl)phenyl]acetyl]naphthalen-1-yl]oxypyridine-2-carboxamide;N-methyl-4-[5-[2-[3-(prop-2-enoylamino)-4-(trifluoromethyl)phenyl]acetyl]naphthalen-1-yl]oxypyridine-2-carboxamide;N-methyl-4-[5-[2-[4-(prop-2-enoylamino)-3-(trifluoromethyl)phenyl]acetyl]naphthalen-1-yl]oxypyridine-2-carboxamide
SMILESC=CC(=O)Nc1cc(CC(=O)c2cccc3c(Oc4ccnc(C(=O)NC)c4)cccc23)ccc1C(F)(F)F.C=CC(=O)Nc1ccc(CC(=O)c2cccc3c(Oc4ccnc(C(=O)NC)c4)cccc23)cc1C(F)(F)F.CNC(=O)c1cc(Oc2cccc3c(C(=O)Cc4ccc(C(=O)C=C(C)C)c(C(F)(F)F)c4)cccc23)ccn1.CNC(=O)c1cc(Oc2cccc3c(C(=O)Cc4ccc(NC(=O)CCl)c(C(F)(F)F)c4)cccc23)ccn1.COc1cc2c(Oc3cccc4c(C(=O)Cc5ccc(-c6cc(Br)no6)c(C(F)(F)F)c5)cccc34)ccnc2cc1C.COc1cc2c(Oc3cccc4c(C(=O)Cc5ccc(-c6cnc(F)nc6F)cc5)cccc34)ccnc2cc1C.COc1cc2c(Oc3cccc4c(C(=O)Cc5ccc(C(F)(F)F)c(C(=O)C=C(C)C)c5)cccc34)ccnc2cc1C.COc1cc2c(Oc3cccc4c(C(=O)Cc5ccc(NC(=O)c6cnc(F)s6)c(C(F)(F)F)c5)cccc34)ccnc2cc1C
InChIInChI=1S/C35H28F3NO4.C34H23F4N3O4S.C33H22BrF3N2O4.C33H23F2N3O3.C31H25F3N2O4.2C29H22F3N3O4.C28H21ClF3N3O4/c1-20(2)15-30(40)26-17-22(11-12-28(26)35(36,37)38)18-31(41)24-8-5-9-25-23(24)7-6-10-32(25)43-33-13-14-39-29-16-21(3)34(42-4)19-27(29)33;1-18-13-26-23(16-30(18)44-2)29(11-12-39-26)45-28-8-4-5-20-21(6-3-7-22(20)28)27(42)15-19-9-10-25(24(14-19)34(36,37)38)41-32(43)31-17-40-33(35)46-31;1-18-13-26-24(16-30(18)41-2)29(11-12-38-26)42-28-8-4-5-20-21(6-3-7-22(20)28)27(40)15-19-9-10-23(25(14-19)33(35,36)37)31-17-32(34)39-43-31;1-19-15-27-25(17-31(19)40-2)30(13-14-36-27)41-29-8-4-5-22-23(6-3-7-24(22)29)28(39)16-20-9-11-21(12-10-20)26-18-37-33(35)38-32(26)34;1-18(2)14-27(37)24-11-10-19(15-25(24)31(32,33)34)16-28(38)22-7-4-8-23-21(22)6-5-9-29(23)40-20-12-13-36-26(17-20)30(39)35-3;1-3-27(37)35-23-11-10-17(14-22(23)29(30,31)32)15-25(36)20-7-4-8-21-19(20)6-5-9-26(21)39-18-12-13-34-24(16-18)28(38)33-2;1-3-27(37)35-23-14-17(10-11-22(23)29(30,31)32)15-25(36)20-7-4-8-21-19(20)6-5-9-26(21)39-18-12-13-34-24(16-18)28(38)33-2;1-33-27(38)23-14-17(10-11-34-23)39-25-7-3-4-18-19(5-2-6-20(18)25)24(36)13-16-8-9-22(35-26(37)15-29)21(12-16)28(30,31)32/h5-17,19H,18H2,1-4H3;3-14,16-17H,15H2,1-2H3,(H,41,43);3-14,16-17H,15H2,1-2H3;3-15,17-18H,16H2,1-2H3;4-15,17H,16H2,1-3H3,(H,35,39);2*3-14,16H,1,15H2,2H3,(H,33,38)(H,35,37);2-12,14H,13,15H2,1H3,(H,33,38)(H,35,37)
InChIKeyYSVYARBHDYCYAV-UHFFFAOYSA-N
XLogP59.80
TPSA682.08 Ų
H-Bond Donors8
H-Bond Acceptors44
Rotatable Bonds62
Heavy Atoms330
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004593.74
LogP ≤ 559.80
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1044

Analyze 2-[4-(3-bromo-1,2-oxazol-5-yl)-3-(trifluoromethyl)phenyl]-1-[5-(6-methoxy-7-methylquinolin-4-yl)oxynaphthalen-1-yl]ethanone;4-[5-[2-[4-[(2-chloroacetyl)amino]-3-(trifluoromethyl)phenyl]acetyl]naphthalen-1-yl]oxy-N-methylpyridine-2-carboxamide;2-[4-(2,4-difluoropyrimidin-5-yl)phenyl]-1-[5-(6-methoxy-7-methylquinolin-4-yl)oxynaphthalen-1-yl]ethanone;2-fluoro-N-[4-[2-[5-(6-methoxy-7-methylquinolin-4-yl)oxynaphthalen-1-yl]-2-oxoethyl]-2-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide;1-[5-[2-[5-(6-methoxy-7-methylquinolin-4-yl)oxynaphthalen-1-yl]-2-oxoethyl]-2-(trifluoromethyl)phenyl]-3-methylbut-2-en-1-one;N-methyl-4-[5-[2-[4-(3-methylbut-2-enoyl)-3-(trifluoromethyl)phenyl]acetyl]naphthalen-1-yl]oxypyridine-2-carboxamide;N-methyl-4-[5-[2-[3-(prop-2-enoylamino)-4-(trifluoromethyl)phenyl]acetyl]naphthalen-1-yl]oxypyridine-2-carboxamide;N-methyl-4-[5-[2-[4-(prop-2-enoylamino)-3-(trifluoromethyl)phenyl]acetyl]naphthalen-1-yl]oxypyridine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-bromo-1,2-oxazol-5-yl)-3-(trifluoromethyl)phenyl]-1-[5-(6-methoxy-7-methylquinolin-4-yl)oxynaphthalen-1-yl]ethanone;4-[5-[2-[4-[(2-chloroacetyl)amino]-3-(trifluoromethyl)phenyl]acetyl]naphthalen-1-yl]oxy-N-methylpyridine-2-carboxamide;2-[4-(2,4-difluoropyrimidin-5-yl)phenyl]-1-[5-(6-methoxy-7-methylquinolin-4-yl)oxynaphthalen-1-yl]ethanone;2-fluoro-N-[4-[2-[5-(6-methoxy-7-methylquinolin-4-yl)oxynaphthalen-1-yl]-2-oxoethyl]-2-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide;1-[5-[2-[5-(6-methoxy-7-methylquinolin-4-yl)oxynaphthalen-1-yl]-2-oxoethyl]-2-(trifluoromethyl)phenyl]-3-methylbut-2-en-1-one;N-methyl-4-[5-[2-[4-(3-methylbut-2-enoyl)-3-(trifluoromethyl)phenyl]acetyl]naphthalen-1-yl]oxypyridine-2-carboxamide;N-methyl-4-[5-[2-[3-(prop-2-enoylamino)-4-(trifluoromethyl)phenyl]acetyl]naphthalen-1-yl]oxypyridine-2-carboxamide;N-methyl-4-[5-[2-[4-(prop-2-enoylamino)-3-(trifluoromethyl)phenyl]acetyl]naphthalen-1-yl]oxypyridine-2-carboxamide?
The IUPAC name of 2-[4-(3-bromo-1,2-oxazol-5-yl)-3-(trifluoromethyl)phenyl]-1-[5-(6-methoxy-7-methylquinolin-4-yl)oxynaphthalen-1-yl]ethanone;4-[5-[2-[4-[(2-chloroacetyl)amino]-3-(trifluoromethyl)phenyl]acetyl]naphthalen-1-yl]oxy-N-methylpyridine-2-carboxamide;2-[4-(2,4-difluoropyrimidin-5-yl)phenyl]-1-[5-(6-methoxy-7-methylquinolin-4-yl)oxynaphthalen-1-yl]ethanone;2-fluoro-N-[4-[2-[5-(6-methoxy-7-methylquinolin-4-yl)oxynaphthalen-1-yl]-2-oxoethyl]-2-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide;1-[5-[2-[5-(6-methoxy-7-methylquinolin-4-yl)oxynaphthalen-1-yl]-2-oxoethyl]-2-(trifluoromethyl)phenyl]-3-methylbut-2-en-1-one;N-methyl-4-[5-[2-[4-(3-methylbut-2-enoyl)-3-(trifluoromethyl)phenyl]acetyl]naphthalen-1-yl]oxypyridine-2-carboxamide;N-methyl-4-[5-[2-[3-(prop-2-enoylamino)-4-(trifluoromethyl)phenyl]acetyl]naphthalen-1-yl]oxypyridine-2-carboxamide;N-methyl-4-[5-[2-[4-(prop-2-enoylamino)-3-(trifluoromethyl)phenyl]acetyl]naphthalen-1-yl]oxypyridine-2-carboxamide (CID 162006111) is 2-[4-(3-bromo-1,2-oxazol-5-yl)-3-(trifluoromethyl)phenyl]-1-[5-(6-methoxy-7-methylquinolin-4-yl)oxynaphthalen-1-yl]ethanone;4-[5-[2-[4-[(2-chloroacetyl)amino]-3-(trifluoromethyl)phenyl]acetyl]naphthalen-1-yl]oxy-N-methylpyridine-2-carboxamide;2-[4-(2,4-difluoropyrimidin-5-yl)phenyl]-1-[5-(6-methoxy-7-methylquinolin-4-yl)oxynaphthalen-1-yl]ethanone;2-fluoro-N-[4-[2-[5-(6-methoxy-7-methylquinolin-4-yl)oxynaphthalen-1-yl]-2-oxoethyl]-2-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide;1-[5-[2-[5-(6-methoxy-7-methylquinolin-4-yl)oxynaphthalen-1-yl]-2-oxoethyl]-2-(trifluoromethyl)phenyl]-3-methylbut-2-en-1-one;N-methyl-4-[5-[2-[4-(3-methylbut-2-enoyl)-3-(trifluoromethyl)phenyl]acetyl]naphthalen-1-yl]oxypyridine-2-carboxamide;N-methyl-4-[5-[2-[3-(prop-2-enoylamino)-4-(trifluoromethyl)phenyl]acetyl]naphthalen-1-yl]oxypyridine-2-carboxamide;N-methyl-4-[5-[2-[4-(prop-2-enoylamino)-3-(trifluoromethyl)phenyl]acetyl]naphthalen-1-yl]oxypyridine-2-carboxamide.
What is the SMILES notation for 2-[4-(3-bromo-1,2-oxazol-5-yl)-3-(trifluoromethyl)phenyl]-1-[5-(6-methoxy-7-methylquinolin-4-yl)oxynaphthalen-1-yl]ethanone;4-[5-[2-[4-[(2-chloroacetyl)amino]-3-(trifluoromethyl)phenyl]acetyl]naphthalen-1-yl]oxy-N-methylpyridine-2-carboxamide;2-[4-(2,4-difluoropyrimidin-5-yl)phenyl]-1-[5-(6-methoxy-7-methylquinolin-4-yl)oxynaphthalen-1-yl]ethanone;2-fluoro-N-[4-[2-[5-(6-methoxy-7-methylquinolin-4-yl)oxynaphthalen-1-yl]-2-oxoethyl]-2-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide;1-[5-[2-[5-(6-methoxy-7-methylquinolin-4-yl)oxynaphthalen-1-yl]-2-oxoethyl]-2-(trifluoromethyl)phenyl]-3-methylbut-2-en-1-one;N-methyl-4-[5-[2-[4-(3-methylbut-2-enoyl)-3-(trifluoromethyl)phenyl]acetyl]naphthalen-1-yl]oxypyridine-2-carboxamide;N-methyl-4-[5-[2-[3-(prop-2-enoylamino)-4-(trifluoromethyl)phenyl]acetyl]naphthalen-1-yl]oxypyridine-2-carboxamide;N-methyl-4-[5-[2-[4-(prop-2-enoylamino)-3-(trifluoromethyl)phenyl]acetyl]naphthalen-1-yl]oxypyridine-2-carboxamide?
The canonical SMILES for 2-[4-(3-bromo-1,2-oxazol-5-yl)-3-(trifluoromethyl)phenyl]-1-[5-(6-methoxy-7-methylquinolin-4-yl)oxynaphthalen-1-yl]ethanone;4-[5-[2-[4-[(2-chloroacetyl)amino]-3-(trifluoromethyl)phenyl]acetyl]naphthalen-1-yl]oxy-N-methylpyridine-2-carboxamide;2-[4-(2,4-difluoropyrimidin-5-yl)phenyl]-1-[5-(6-methoxy-7-methylquinolin-4-yl)oxynaphthalen-1-yl]ethanone;2-fluoro-N-[4-[2-[5-(6-methoxy-7-methylquinolin-4-yl)oxynaphthalen-1-yl]-2-oxoethyl]-2-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide;1-[5-[2-[5-(6-methoxy-7-methylquinolin-4-yl)oxynaphthalen-1-yl]-2-oxoethyl]-2-(trifluoromethyl)phenyl]-3-methylbut-2-en-1-one;N-methyl-4-[5-[2-[4-(3-methylbut-2-enoyl)-3-(trifluoromethyl)phenyl]acetyl]naphthalen-1-yl]oxypyridine-2-carboxamide;N-methyl-4-[5-[2-[3-(prop-2-enoylamino)-4-(trifluoromethyl)phenyl]acetyl]naphthalen-1-yl]oxypyridine-2-carboxamide;N-methyl-4-[5-[2-[4-(prop-2-enoylamino)-3-(trifluoromethyl)phenyl]acetyl]naphthalen-1-yl]oxypyridine-2-carboxamide is C=CC(=O)Nc1cc(CC(=O)c2cccc3c(Oc4ccnc(C(=O)NC)c4)cccc23)ccc1C(F)(F)F.C=CC(=O)Nc1ccc(CC(=O)c2cccc3c(Oc4ccnc(C(=O)NC)c4)cccc23)cc1C(F)(F)F.CNC(=O)c1cc(Oc2cccc3c(C(=O)Cc4ccc(C(=O)C=C(C)C)c(C(F)(F)F)c4)cccc23)ccn1.CNC(=O)c1cc(Oc2cccc3c(C(=O)Cc4ccc(NC(=O)CCl)c(C(F)(F)F)c4)cccc23)ccn1.COc1cc2c(Oc3cccc4c(C(=O)Cc5ccc(-c6cc(Br)no6)c(C(F)(F)F)c5)cccc34)ccnc2cc1C.COc1cc2c(Oc3cccc4c(C(=O)Cc5ccc(-c6cnc(F)nc6F)cc5)cccc34)ccnc2cc1C.COc1cc2c(Oc3cccc4c(C(=O)Cc5ccc(C(F)(F)F)c(C(=O)C=C(C)C)c5)cccc34)ccnc2cc1C.COc1cc2c(Oc3cccc4c(C(=O)Cc5ccc(NC(=O)c6cnc(F)s6)c(C(F)(F)F)c5)cccc34)ccnc2cc1C.
What is the InChIKey of 2-[4-(3-bromo-1,2-oxazol-5-yl)-3-(trifluoromethyl)phenyl]-1-[5-(6-methoxy-7-methylquinolin-4-yl)oxynaphthalen-1-yl]ethanone;4-[5-[2-[4-[(2-chloroacetyl)amino]-3-(trifluoromethyl)phenyl]acetyl]naphthalen-1-yl]oxy-N-methylpyridine-2-carboxamide;2-[4-(2,4-difluoropyrimidin-5-yl)phenyl]-1-[5-(6-methoxy-7-methylquinolin-4-yl)oxynaphthalen-1-yl]ethanone;2-fluoro-N-[4-[2-[5-(6-methoxy-7-methylquinolin-4-yl)oxynaphthalen-1-yl]-2-oxoethyl]-2-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide;1-[5-[2-[5-(6-methoxy-7-methylquinolin-4-yl)oxynaphthalen-1-yl]-2-oxoethyl]-2-(trifluoromethyl)phenyl]-3-methylbut-2-en-1-one;N-methyl-4-[5-[2-[4-(3-methylbut-2-enoyl)-3-(trifluoromethyl)phenyl]acetyl]naphthalen-1-yl]oxypyridine-2-carboxamide;N-methyl-4-[5-[2-[3-(prop-2-enoylamino)-4-(trifluoromethyl)phenyl]acetyl]naphthalen-1-yl]oxypyridine-2-carboxamide;N-methyl-4-[5-[2-[4-(prop-2-enoylamino)-3-(trifluoromethyl)phenyl]acetyl]naphthalen-1-yl]oxypyridine-2-carboxamide?
The InChIKey is YSVYARBHDYCYAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H28F3NO4.C34H23F4N3O4S.C33H22BrF3N2O4.C33H23F2N3O3.C31H25F3N2O4.2C29H22F3N3O4.C28H21ClF3N3O4/c1-20(2)15-30(40)26-17-22(11-12-28(26)35(36,37)38)18-31(41)24-8-5-9-25-23(24)7-6-10-32(25)43-33-13-14-39-29-16-21(3)34(42-4)19-27(29)33;1-18-13-26-23(16-30(18)44-2)29(11-12-39-26)45-28-8-4-5-20-21(6-3-7-22(20)28)27(42)15-19-9-10-25(24(14-19)34(36,37)38)41-32(43)31-17-40-33(35)46-31;1-18-13-26-24(16-30(18)41-2)29(11-12-38-26)42-28-8-4-5-20-21(6-3-7-22(20)28)27(40)15-19-9-10-23(25(14-19)33(35,36)37)31-17-32(34)39-43-31;1-19-15-27-25(17-31(19)40-2)30(13-14-36-27)41-29-8-4-5-22-23(6-3-7-24(22)29)28(39)16-20-9-11-21(12-10-20)26-18-37-33(35)38-32(26)34;1-18(2)14-27(37)24-11-10-19(15-25(24)31(32,33)34)16-28(38)22-7-4-8-23-21(22)6-5-9-29(23)40-20-12-13-36-26(17-20)30(39)35-3;1-3-27(37)35-23-11-10-17(14-22(23)29(30,31)32)15-25(36)20-7-4-8-21-19(20)6-5-9-26(21)39-18-12-13-34-24(16-18)28(38)33-2;1-3-27(37)35-23-14-17(10-11-22(23)29(30,31)32)15-25(36)20-7-4-8-21-19(20)6-5-9-26(21)39-18-12-13-34-24(16-18)28(38)33-2;1-33-27(38)23-14-17(10-11-34-23)39-25-7-3-4-18-19(5-2-6-20(18)25)24(36)13-16-8-9-22(35-26(37)15-29)21(12-16)28(30,31)32/h5-17,19H,18H2,1-4H3;3-14,16-17H,15H2,1-2H3,(H,41,43);3-14,16-17H,15H2,1-2H3;3-15,17-18H,16H2,1-2H3;4-15,17H,16H2,1-3H3,(H,35,39);2*3-14,16H,1,15H2,2H3,(H,33,38)(H,35,37);2-12,14H,13,15H2,1H3,(H,33,38)(H,35,37).
What are the key properties of 2-[4-(3-bromo-1,2-oxazol-5-yl)-3-(trifluoromethyl)phenyl]-1-[5-(6-methoxy-7-methylquinolin-4-yl)oxynaphthalen-1-yl]ethanone;4-[5-[2-[4-[(2-chloroacetyl)amino]-3-(trifluoromethyl)phenyl]acetyl]naphthalen-1-yl]oxy-N-methylpyridine-2-carboxamide;2-[4-(2,4-difluoropyrimidin-5-yl)phenyl]-1-[5-(6-methoxy-7-methylquinolin-4-yl)oxynaphthalen-1-yl]ethanone;2-fluoro-N-[4-[2-[5-(6-methoxy-7-methylquinolin-4-yl)oxynaphthalen-1-yl]-2-oxoethyl]-2-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide;1-[5-[2-[5-(6-methoxy-7-methylquinolin-4-yl)oxynaphthalen-1-yl]-2-oxoethyl]-2-(trifluoromethyl)phenyl]-3-methylbut-2-en-1-one;N-methyl-4-[5-[2-[4-(3-methylbut-2-enoyl)-3-(trifluoromethyl)phenyl]acetyl]naphthalen-1-yl]oxypyridine-2-carboxamide;N-methyl-4-[5-[2-[3-(prop-2-enoylamino)-4-(trifluoromethyl)phenyl]acetyl]naphthalen-1-yl]oxypyridine-2-carboxamide;N-methyl-4-[5-[2-[4-(prop-2-enoylamino)-3-(trifluoromethyl)phenyl]acetyl]naphthalen-1-yl]oxypyridine-2-carboxamide?
2-[4-(3-bromo-1,2-oxazol-5-yl)-3-(trifluoromethyl)phenyl]-1-[5-(6-methoxy-7-methylquinolin-4-yl)oxynaphthalen-1-yl]ethanone;4-[5-[2-[4-[(2-chloroacetyl)amino]-3-(trifluoromethyl)phenyl]acetyl]naphthalen-1-yl]oxy-N-methylpyridine-2-carboxamide;2-[4-(2,4-difluoropyrimidin-5-yl)phenyl]-1-[5-(6-methoxy-7-methylquinolin-4-yl)oxynaphthalen-1-yl]ethanone;2-fluoro-N-[4-[2-[5-(6-methoxy-7-methylquinolin-4-yl)oxynaphthalen-1-yl]-2-oxoethyl]-2-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide;1-[5-[2-[5-(6-methoxy-7-methylquinolin-4-yl)oxynaphthalen-1-yl]-2-oxoethyl]-2-(trifluoromethyl)phenyl]-3-methylbut-2-en-1-one;N-methyl-4-[5-[2-[4-(3-methylbut-2-enoyl)-3-(trifluoromethyl)phenyl]acetyl]naphthalen-1-yl]oxypyridine-2-carboxamide;N-methyl-4-[5-[2-[3-(prop-2-enoylamino)-4-(trifluoromethyl)phenyl]acetyl]naphthalen-1-yl]oxypyridine-2-carboxamide;N-methyl-4-[5-[2-[4-(prop-2-enoylamino)-3-(trifluoromethyl)phenyl]acetyl]naphthalen-1-yl]oxypyridine-2-carboxamide has a molecular weight of 4593.74 g/mol, XLogP of 59.80, 62 rotatable bonds, 8 hydrogen bond donors, and 44 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-bromo-1,2-oxazol-5-yl)-3-(trifluoromethyl)phenyl]-1-[5-(6-methoxy-7-methylquinolin-4-yl)oxynaphthalen-1-yl]ethanone;4-[5-[2-[4-[(2-chloroacetyl)amino]-3-(trifluoromethyl)phenyl]acetyl]naphthalen-1-yl]oxy-N-methylpyridine-2-carboxamide;2-[4-(2,4-difluoropyrimidin-5-yl)phenyl]-1-[5-(6-methoxy-7-methylquinolin-4-yl)oxynaphthalen-1-yl]ethanone;2-fluoro-N-[4-[2-[5-(6-methoxy-7-methylquinolin-4-yl)oxynaphthalen-1-yl]-2-oxoethyl]-2-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide;1-[5-[2-[5-(6-methoxy-7-methylquinolin-4-yl)oxynaphthalen-1-yl]-2-oxoethyl]-2-(trifluoromethyl)phenyl]-3-methylbut-2-en-1-one;N-methyl-4-[5-[2-[4-(3-methylbut-2-enoyl)-3-(trifluoromethyl)phenyl]acetyl]naphthalen-1-yl]oxypyridine-2-carboxamide;N-methyl-4-[5-[2-[3-(prop-2-enoylamino)-4-(trifluoromethyl)phenyl]acetyl]naphthalen-1-yl]oxypyridine-2-carboxamide;N-methyl-4-[5-[2-[4-(prop-2-enoylamino)-3-(trifluoromethyl)phenyl]acetyl]naphthalen-1-yl]oxypyridine-2-carboxamide is sourced from PubChem (CID 162006111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).