N-[4-(3-chloroanilino)-3-cyano-7-ethoxyquinolin-6-yl]acetamide;N-[4-(3-chloro-4-morpholin-4-ylanilino)-3-cyano-7-ethoxyquinolin-6-yl]acetamide;N-[4-(3-chloro-4-phenylmethoxyanilino)-3-cyano-7-ethoxyquinolin-6-yl]acetamide;(E)-N-[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]-3-cyano-7-ethoxyquinolin-6-yl]-4-(dimethylamino)but-2-enamide;N-[3-cyano-4-(3-cyanoanilino)-7-ethoxyquinolin-6-yl]acetamide;N-[3-cyano-4-(4-cyanoanilino)-7-ethoxyquinolin-6-yl]acetamide;N-[3-cyano-4-[4-(1,1-difluoroethoxy)anilino]-7-ethoxyquinolin-6-yl]acetamide;N-[3-cyano-7-ethoxy-4-(3-methylanilino)quinolin-6-yl]acetamide;N-[3-cyano-7-ethoxy-4-(4-phenylanilino)quinolin-6-yl]acetamide;N-[3-cyano-7-ethoxy-4-[4-(trifluoromethyl)anilino]quinolin-6-yl]acetamide;N-[3-cyano-7-(methoxymethyl)-4-[(3-phenylmethoxyphenyl)methyl]quinolin-6-yl]acetamide

C261H231Cl4F5N48O27 — CID 159597063

IUPACN-[4-(3-chloroanilino)-3-cyano-7-ethoxyquinolin-6-yl]acetamide;N-[4-(3-chloro-4-morpholin-4-ylanilino)-3-cyano-7-ethoxyquinolin-6-yl]acetamide;N-[4-(3-chloro-4-phenylmethoxyanilino)-3-cyano-7-ethoxyquinolin-6-yl]acetamide;(E)-N-[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]-3-cyano-7-ethoxyquinolin-6-yl]-4-(dimethylamino)but-2-enamide;N-[3-cyano-4-(3-cyanoanilino)-7-ethoxyquinolin-6-yl]acetamide;N-[3-cyano-4-(4-cyanoanilino)-7-ethoxyquinolin-6-yl]acetamide;N-[3-cyano-4-[4-(1,1-difluoroethoxy)anilino]-7-ethoxyquinolin-6-yl]acetamide;N-[3-cyano-7-ethoxy-4-(3-methylanilino)quinolin-6-yl]acetamide;N-[3-cyano-7-ethoxy-4-(4-phenylanilino)quinolin-6-yl]acetamide;N-[3-cyano-7-ethoxy-4-[4-(trifluoromethyl)anilino]quinolin-6-yl]acetamide;N-[3-cyano-7-(methoxymethyl)-4-[(3-phenylmethoxyphenyl)methyl]quinolin-6-yl]acetamide
SMILESCCOc1cc2ncc(C#N)c(Nc3ccc(-c4ccccc4)cc3)c2cc1NC(C)=O.CCOc1cc2ncc(C#N)c(Nc3ccc(C#N)cc3)c2cc1NC(C)=O.CCOc1cc2ncc(C#N)c(Nc3ccc(C(F)(F)F)cc3)c2cc1NC(C)=O.CCOc1cc2ncc(C#N)c(Nc3ccc(N4CCOCC4)c(Cl)c3)c2cc1NC(C)=O.CCOc1cc2ncc(C#N)c(Nc3ccc(OC(C)(F)F)cc3)c2cc1NC(C)=O.CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccccc4)c(Cl)c3)c2cc1NC(C)=O.CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccccn4)c(Cl)c3)c2cc1NC(=O)/C=C/CN(C)C.CCOc1cc2ncc(C#N)c(Nc3cccc(C#N)c3)c2cc1NC(C)=O.CCOc1cc2ncc(C#N)c(Nc3cccc(C)c3)c2cc1NC(C)=O.CCOc1cc2ncc(C#N)c(Nc3cccc(Cl)c3)c2cc1NC(C)=O.COCc1cc2ncc(C#N)c(Cc3cccc(OCc4ccccc4)c3)c2cc1NC(C)=O
InChIInChI=1S/C30H29ClN6O3.C28H25N3O3.C27H23ClN4O3.C26H22N4O2.C24H24ClN5O3.C22H20F2N4O3.C21H17F3N4O2.2C21H17N5O2.C21H20N4O2.C20H17ClN4O2/c1-4-39-28-16-25-23(15-26(28)36-29(38)9-7-13-37(2)3)30(20(17-32)18-34-25)35-21-10-11-27(24(31)14-21)40-19-22-8-5-6-12-33-22;1-19(32)31-27-14-26-25(23(15-29)16-30-28(26)13-22(27)18-33-2)12-21-9-6-10-24(11-21)34-17-20-7-4-3-5-8-20;1-3-34-26-13-23-21(12-24(26)31-17(2)33)27(19(14-29)15-30-23)32-20-9-10-25(22(28)11-20)35-16-18-7-5-4-6-8-18;1-3-32-25-14-23-22(13-24(25)29-17(2)31)26(20(15-27)16-28-23)30-21-11-9-19(10-12-21)18-7-5-4-6-8-18;1-3-33-23-12-20-18(11-21(23)28-15(2)31)24(16(13-26)14-27-20)29-17-4-5-22(19(25)10-17)30-6-8-32-9-7-30;1-4-30-20-10-18-17(9-19(20)27-13(2)29)21(14(11-25)12-26-18)28-15-5-7-16(8-6-15)31-22(3,23)24;1-3-30-19-9-17-16(8-18(19)27-12(2)29)20(13(10-25)11-26-17)28-15-6-4-14(5-7-15)21(22,23)24;1-3-28-20-9-18-17(8-19(20)25-13(2)27)21(15(11-23)12-24-18)26-16-6-4-14(10-22)5-7-16;1-3-28-20-9-18-17(8-19(20)25-13(2)27)21(15(11-23)12-24-18)26-16-6-4-5-14(7-16)10-22;1-4-27-20-10-18-17(9-19(20)24-14(3)26)21(15(11-22)12-23-18)25-16-7-5-6-13(2)8-16;1-3-27-19-9-17-16(8-18(19)24-12(2)26)20(13(10-22)11-23-17)25-15-6-4-5-14(21)7-15/h5-12,14-16,18H,4,13,19H2,1-3H3,(H,34,35)(H,36,38);3-11,13-14,16H,12,17-18H2,1-2H3,(H,31,32);4-13,15H,3,16H2,1-2H3,(H,30,32)(H,31,33);4-14,16H,3H2,1-2H3,(H,28,30)(H,29,31);4-5,10-12,14H,3,6-9H2,1-2H3,(H,27,29)(H,28,31);5-10,12H,4H2,1-3H3,(H,26,28)(H,27,29);4-9,11H,3H2,1-2H3,(H,26,28)(H,27,29);2*4-9,12H,3H2,1-2H3,(H,24,26)(H,25,27);5-10,12H,4H2,1-3H3,(H,23,25)(H,24,26);4-9,11H,3H2,1-2H3,(H,23,25)(H,24,26)/b9-7+;;;;;;;;;;
InChIKeyMKZISPAQTCAXOP-JLSSFYIWSA-N
MW4708.83 g/mol
LogP56.28
Rot. Bonds71

About N-[4-(3-chloroanilino)-3-cyano-7-ethoxyquinolin-6-yl]acetamide;N-[4-(3-chloro-4-morpholin-4-ylanilino)-3-cyano-7-ethoxyquinolin-6-yl]acetamide;N-[4-(3-chloro-4-phenylmethoxyanilino)-3-cyano-7-ethoxyquinolin-6-yl]acetamide;(E)-N-[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]-3-cyano-7-ethoxyquinolin-6-yl]-4-(dimethylamino)but-2-enamide;N-[3-cyano-4-(3-cyanoanilino)-7-ethoxyquinolin-6-yl]acetamide;N-[3-cyano-4-(4-cyanoanilino)-7-ethoxyquinolin-6-yl]acetamide;N-[3-cyano-4-[4-(1,1-difluoroethoxy)anilino]-7-ethoxyquinolin-6-yl]acetamide;N-[3-cyano-7-ethoxy-4-(3-methylanilino)quinolin-6-yl]acetamide;N-[3-cyano-7-ethoxy-4-(4-phenylanilino)quinolin-6-yl]acetamide;N-[3-cyano-7-ethoxy-4-[4-(trifluoromethyl)anilino]quinolin-6-yl]acetamide;N-[3-cyano-7-(methoxymethyl)-4-[(3-phenylmethoxyphenyl)methyl]quinolin-6-yl]acetamide

N-[4-(3-chloroanilino)-3-cyano-7-ethoxyquinolin-6-yl]acetamide;N-[4-(3-chloro-4-morpholin-4-ylanilino)-3-cyano-7-ethoxyquinolin-6-yl]acetamide;N-[4-(3-chloro-4-phenylmethoxyanilino)-3-cyano-7-ethoxyquinolin-6-yl]acetamide;(E)-N-[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]-3-cyano-7-ethoxyquinolin-6-yl]-4-(dimethylamino)but-2-enamide;N-[3-cyano-4-(3-cyanoanilino)-7-ethoxyquinolin-6-yl]acetamide;N-[3-cyano-4-(4-cyanoanilino)-7-ethoxyquinolin-6-yl]acetamide;N-[3-cyano-4-[4-(1,1-difluoroethoxy)anilino]-7-ethoxyquinolin-6-yl]acetamide;N-[3-cyano-7-ethoxy-4-(3-methylanilino)quinolin-6-yl]acetamide;N-[3-cyano-7-ethoxy-4-(4-phenylanilino)quinolin-6-yl]acetamide;N-[3-cyano-7-ethoxy-4-[4-(trifluoromethyl)anilino]quinolin-6-yl]acetamide;N-[3-cyano-7-(methoxymethyl)-4-[(3-phenylmethoxyphenyl)methyl]quinolin-6-yl]acetamide (PubChem CID 159597063) has the molecular formula C261H231Cl4F5N48O27 and a molecular weight of 4708.83 g/mol. Its IUPAC name is N-[4-(3-chloroanilino)-3-cyano-7-ethoxyquinolin-6-yl]acetamide;N-[4-(3-chloro-4-morpholin-4-ylanilino)-3-cyano-7-ethoxyquinolin-6-yl]acetamide;N-[4-(3-chloro-4-phenylmethoxyanilino)-3-cyano-7-ethoxyquinolin-6-yl]acetamide;(E)-N-[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]-3-cyano-7-ethoxyquinolin-6-yl]-4-(dimethylamino)but-2-enamide;N-[3-cyano-4-(3-cyanoanilino)-7-ethoxyquinolin-6-yl]acetamide;N-[3-cyano-4-(4-cyanoanilino)-7-ethoxyquinolin-6-yl]acetamide;N-[3-cyano-4-[4-(1,1-difluoroethoxy)anilino]-7-ethoxyquinolin-6-yl]acetamide;N-[3-cyano-7-ethoxy-4-(3-methylanilino)quinolin-6-yl]acetamide;N-[3-cyano-7-ethoxy-4-(4-phenylanilino)quinolin-6-yl]acetamide;N-[3-cyano-7-ethoxy-4-[4-(trifluoromethyl)anilino]quinolin-6-yl]acetamide;N-[3-cyano-7-(methoxymethyl)-4-[(3-phenylmethoxyphenyl)methyl]quinolin-6-yl]acetamide.

Molecular Properties

Compound NameN-[4-(3-chloroanilino)-3-cyano-7-ethoxyquinolin-6-yl]acetamide;N-[4-(3-chloro-4-morpholin-4-ylanilino)-3-cyano-7-ethoxyquinolin-6-yl]acetamide;N-[4-(3-chloro-4-phenylmethoxyanilino)-3-cyano-7-ethoxyquinolin-6-yl]acetamide;(E)-N-[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]-3-cyano-7-ethoxyquinolin-6-yl]-4-(dimethylamino)but-2-enamide;N-[3-cyano-4-(3-cyanoanilino)-7-ethoxyquinolin-6-yl]acetamide;N-[3-cyano-4-(4-cyanoanilino)-7-ethoxyquinolin-6-yl]acetamide;N-[3-cyano-4-[4-(1,1-difluoroethoxy)anilino]-7-ethoxyquinolin-6-yl]acetamide;N-[3-cyano-7-ethoxy-4-(3-methylanilino)quinolin-6-yl]acetamide;N-[3-cyano-7-ethoxy-4-(4-phenylanilino)quinolin-6-yl]acetamide;N-[3-cyano-7-ethoxy-4-[4-(trifluoromethyl)anilino]quinolin-6-yl]acetamide;N-[3-cyano-7-(methoxymethyl)-4-[(3-phenylmethoxyphenyl)methyl]quinolin-6-yl]acetamide
PubChem CID159597063
Molecular FormulaC261H231Cl4F5N48O27
Molecular Weight4708.83 g/mol
Exact Mass4703.69
IUPAC NameN-[4-(3-chloroanilino)-3-cyano-7-ethoxyquinolin-6-yl]acetamide;N-[4-(3-chloro-4-morpholin-4-ylanilino)-3-cyano-7-ethoxyquinolin-6-yl]acetamide;N-[4-(3-chloro-4-phenylmethoxyanilino)-3-cyano-7-ethoxyquinolin-6-yl]acetamide;(E)-N-[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]-3-cyano-7-ethoxyquinolin-6-yl]-4-(dimethylamino)but-2-enamide;N-[3-cyano-4-(3-cyanoanilino)-7-ethoxyquinolin-6-yl]acetamide;N-[3-cyano-4-(4-cyanoanilino)-7-ethoxyquinolin-6-yl]acetamide;N-[3-cyano-4-[4-(1,1-difluoroethoxy)anilino]-7-ethoxyquinolin-6-yl]acetamide;N-[3-cyano-7-ethoxy-4-(3-methylanilino)quinolin-6-yl]acetamide;N-[3-cyano-7-ethoxy-4-(4-phenylanilino)quinolin-6-yl]acetamide;N-[3-cyano-7-ethoxy-4-[4-(trifluoromethyl)anilino]quinolin-6-yl]acetamide;N-[3-cyano-7-(methoxymethyl)-4-[(3-phenylmethoxyphenyl)methyl]quinolin-6-yl]acetamide
SMILESCCOc1cc2ncc(C#N)c(Nc3ccc(-c4ccccc4)cc3)c2cc1NC(C)=O.CCOc1cc2ncc(C#N)c(Nc3ccc(C#N)cc3)c2cc1NC(C)=O.CCOc1cc2ncc(C#N)c(Nc3ccc(C(F)(F)F)cc3)c2cc1NC(C)=O.CCOc1cc2ncc(C#N)c(Nc3ccc(N4CCOCC4)c(Cl)c3)c2cc1NC(C)=O.CCOc1cc2ncc(C#N)c(Nc3ccc(OC(C)(F)F)cc3)c2cc1NC(C)=O.CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccccc4)c(Cl)c3)c2cc1NC(C)=O.CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccccn4)c(Cl)c3)c2cc1NC(=O)/C=C/CN(C)C.CCOc1cc2ncc(C#N)c(Nc3cccc(C#N)c3)c2cc1NC(C)=O.CCOc1cc2ncc(C#N)c(Nc3cccc(C)c3)c2cc1NC(C)=O.CCOc1cc2ncc(C#N)c(Nc3cccc(Cl)c3)c2cc1NC(C)=O.COCc1cc2ncc(C#N)c(Cc3cccc(OCc4ccccc4)c3)c2cc1NC(C)=O
InChIInChI=1S/C30H29ClN6O3.C28H25N3O3.C27H23ClN4O3.C26H22N4O2.C24H24ClN5O3.C22H20F2N4O3.C21H17F3N4O2.2C21H17N5O2.C21H20N4O2.C20H17ClN4O2/c1-4-39-28-16-25-23(15-26(28)36-29(38)9-7-13-37(2)3)30(20(17-32)18-34-25)35-21-10-11-27(24(31)14-21)40-19-22-8-5-6-12-33-22;1-19(32)31-27-14-26-25(23(15-29)16-30-28(26)13-22(27)18-33-2)12-21-9-6-10-24(11-21)34-17-20-7-4-3-5-8-20;1-3-34-26-13-23-21(12-24(26)31-17(2)33)27(19(14-29)15-30-23)32-20-9-10-25(22(28)11-20)35-16-18-7-5-4-6-8-18;1-3-32-25-14-23-22(13-24(25)29-17(2)31)26(20(15-27)16-28-23)30-21-11-9-19(10-12-21)18-7-5-4-6-8-18;1-3-33-23-12-20-18(11-21(23)28-15(2)31)24(16(13-26)14-27-20)29-17-4-5-22(19(25)10-17)30-6-8-32-9-7-30;1-4-30-20-10-18-17(9-19(20)27-13(2)29)21(14(11-25)12-26-18)28-15-5-7-16(8-6-15)31-22(3,23)24;1-3-30-19-9-17-16(8-18(19)27-12(2)29)20(13(10-25)11-26-17)28-15-6-4-14(5-7-15)21(22,23)24;1-3-28-20-9-18-17(8-19(20)25-13(2)27)21(15(11-23)12-24-18)26-16-6-4-14(10-22)5-7-16;1-3-28-20-9-18-17(8-19(20)25-13(2)27)21(15(11-23)12-24-18)26-16-6-4-5-14(7-16)10-22;1-4-27-20-10-18-17(9-19(20)24-14(3)26)21(15(11-22)12-23-18)25-16-7-5-6-13(2)8-16;1-3-27-19-9-17-16(8-18(19)24-12(2)26)20(13(10-22)11-23-17)25-15-6-4-5-14(21)7-15/h5-12,14-16,18H,4,13,19H2,1-3H3,(H,34,35)(H,36,38);3-11,13-14,16H,12,17-18H2,1-2H3,(H,31,32);4-13,15H,3,16H2,1-2H3,(H,30,32)(H,31,33);4-14,16H,3H2,1-2H3,(H,28,30)(H,29,31);4-5,10-12,14H,3,6-9H2,1-2H3,(H,27,29)(H,28,31);5-10,12H,4H2,1-3H3,(H,26,28)(H,27,29);4-9,11H,3H2,1-2H3,(H,26,28)(H,27,29);2*4-9,12H,3H2,1-2H3,(H,24,26)(H,25,27);5-10,12H,4H2,1-3H3,(H,23,25)(H,24,26);4-9,11H,3H2,1-2H3,(H,23,25)(H,24,26)/b9-7+;;;;;;;;;;
InChIKeyMKZISPAQTCAXOP-JLSSFYIWSA-N
XLogP56.28
TPSA1058.51 Ų
H-Bond Donors21
H-Bond Acceptors64
Rotatable Bonds71
Heavy Atoms345
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004708.83
LogP ≤ 556.28
H-Bond Donors ≤ 521
H-Bond Acceptors ≤ 1064

Analyze N-[4-(3-chloroanilino)-3-cyano-7-ethoxyquinolin-6-yl]acetamide;N-[4-(3-chloro-4-morpholin-4-ylanilino)-3-cyano-7-ethoxyquinolin-6-yl]acetamide;N-[4-(3-chloro-4-phenylmethoxyanilino)-3-cyano-7-ethoxyquinolin-6-yl]acetamide;(E)-N-[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]-3-cyano-7-ethoxyquinolin-6-yl]-4-(dimethylamino)but-2-enamide;N-[3-cyano-4-(3-cyanoanilino)-7-ethoxyquinolin-6-yl]acetamide;N-[3-cyano-4-(4-cyanoanilino)-7-ethoxyquinolin-6-yl]acetamide;N-[3-cyano-4-[4-(1,1-difluoroethoxy)anilino]-7-ethoxyquinolin-6-yl]acetamide;N-[3-cyano-7-ethoxy-4-(3-methylanilino)quinolin-6-yl]acetamide;N-[3-cyano-7-ethoxy-4-(4-phenylanilino)quinolin-6-yl]acetamide;N-[3-cyano-7-ethoxy-4-[4-(trifluoromethyl)anilino]quinolin-6-yl]acetamide;N-[3-cyano-7-(methoxymethyl)-4-[(3-phenylmethoxyphenyl)methyl]quinolin-6-yl]acetamide 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

Neratinib
CID 9915743
Neratinib Maleate
CID 67307512
Pyrotinib
CID 51039030
Hki-357
CID 11238512
(E)-N-[4-[3-chloro-4-(pyridin-3-ylmethoxy)anilino]-3-cyano-7-ethoxyquinolin-6-yl]-4-(dimethylamino)but-2-enamide
CID 11238293
4-[3-chloro-4-[(2-pyridyl)methoxy]anilino]-3-cyano-7-ethoxy-6-(N-acetyl amino)quinoline
CID 25267994
4-Dimethylamino-but-2-enoic acid {4-[3-chloro-4-(pyridin-4-yloxy)-phenylamino]-3-cyano-7-ethoxy-quinolin-6-yl}-amide
CID 11168731
4-Dimethylamino-but-2-enoic acid [4-(3-chloro-4-phenoxy-phenylamino)-3-cyano-7-ethoxy-quinolin-6-yl]-amide
CID 11307255
(E)-N-{4-[4-(benzyloxy)-3-chloroanilino]-3-cyano-7-ethoxy-6-quinolinyl}-4-(dimethylamino)-2-butenamide
CID 11353443
N-[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]-3-cyano-7-ethoxyquinolin-6-yl]-3-(dimethylamino)propanamide
CID 46831432
N-[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]-3-cyano-7-ethoxyquinolin-6-yl]-3-piperidin-1-ylpropanamide
CID 46831433
N-[4-[3-chloro-4-(2-pyridinylmethoxy)anilino]-3-cyano-7-ethoxy-6-quinolinyl]-4-(dimethylamino)-2-butenamide
CID 53398697

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-chloroanilino)-3-cyano-7-ethoxyquinolin-6-yl]acetamide;N-[4-(3-chloro-4-morpholin-4-ylanilino)-3-cyano-7-ethoxyquinolin-6-yl]acetamide;N-[4-(3-chloro-4-phenylmethoxyanilino)-3-cyano-7-ethoxyquinolin-6-yl]acetamide;(E)-N-[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]-3-cyano-7-ethoxyquinolin-6-yl]-4-(dimethylamino)but-2-enamide;N-[3-cyano-4-(3-cyanoanilino)-7-ethoxyquinolin-6-yl]acetamide;N-[3-cyano-4-(4-cyanoanilino)-7-ethoxyquinolin-6-yl]acetamide;N-[3-cyano-4-[4-(1,1-difluoroethoxy)anilino]-7-ethoxyquinolin-6-yl]acetamide;N-[3-cyano-7-ethoxy-4-(3-methylanilino)quinolin-6-yl]acetamide;N-[3-cyano-7-ethoxy-4-(4-phenylanilino)quinolin-6-yl]acetamide;N-[3-cyano-7-ethoxy-4-[4-(trifluoromethyl)anilino]quinolin-6-yl]acetamide;N-[3-cyano-7-(methoxymethyl)-4-[(3-phenylmethoxyphenyl)methyl]quinolin-6-yl]acetamide?
The IUPAC name of N-[4-(3-chloroanilino)-3-cyano-7-ethoxyquinolin-6-yl]acetamide;N-[4-(3-chloro-4-morpholin-4-ylanilino)-3-cyano-7-ethoxyquinolin-6-yl]acetamide;N-[4-(3-chloro-4-phenylmethoxyanilino)-3-cyano-7-ethoxyquinolin-6-yl]acetamide;(E)-N-[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]-3-cyano-7-ethoxyquinolin-6-yl]-4-(dimethylamino)but-2-enamide;N-[3-cyano-4-(3-cyanoanilino)-7-ethoxyquinolin-6-yl]acetamide;N-[3-cyano-4-(4-cyanoanilino)-7-ethoxyquinolin-6-yl]acetamide;N-[3-cyano-4-[4-(1,1-difluoroethoxy)anilino]-7-ethoxyquinolin-6-yl]acetamide;N-[3-cyano-7-ethoxy-4-(3-methylanilino)quinolin-6-yl]acetamide;N-[3-cyano-7-ethoxy-4-(4-phenylanilino)quinolin-6-yl]acetamide;N-[3-cyano-7-ethoxy-4-[4-(trifluoromethyl)anilino]quinolin-6-yl]acetamide;N-[3-cyano-7-(methoxymethyl)-4-[(3-phenylmethoxyphenyl)methyl]quinolin-6-yl]acetamide (CID 159597063) is N-[4-(3-chloroanilino)-3-cyano-7-ethoxyquinolin-6-yl]acetamide;N-[4-(3-chloro-4-morpholin-4-ylanilino)-3-cyano-7-ethoxyquinolin-6-yl]acetamide;N-[4-(3-chloro-4-phenylmethoxyanilino)-3-cyano-7-ethoxyquinolin-6-yl]acetamide;(E)-N-[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]-3-cyano-7-ethoxyquinolin-6-yl]-4-(dimethylamino)but-2-enamide;N-[3-cyano-4-(3-cyanoanilino)-7-ethoxyquinolin-6-yl]acetamide;N-[3-cyano-4-(4-cyanoanilino)-7-ethoxyquinolin-6-yl]acetamide;N-[3-cyano-4-[4-(1,1-difluoroethoxy)anilino]-7-ethoxyquinolin-6-yl]acetamide;N-[3-cyano-7-ethoxy-4-(3-methylanilino)quinolin-6-yl]acetamide;N-[3-cyano-7-ethoxy-4-(4-phenylanilino)quinolin-6-yl]acetamide;N-[3-cyano-7-ethoxy-4-[4-(trifluoromethyl)anilino]quinolin-6-yl]acetamide;N-[3-cyano-7-(methoxymethyl)-4-[(3-phenylmethoxyphenyl)methyl]quinolin-6-yl]acetamide.
What is the SMILES notation for N-[4-(3-chloroanilino)-3-cyano-7-ethoxyquinolin-6-yl]acetamide;N-[4-(3-chloro-4-morpholin-4-ylanilino)-3-cyano-7-ethoxyquinolin-6-yl]acetamide;N-[4-(3-chloro-4-phenylmethoxyanilino)-3-cyano-7-ethoxyquinolin-6-yl]acetamide;(E)-N-[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]-3-cyano-7-ethoxyquinolin-6-yl]-4-(dimethylamino)but-2-enamide;N-[3-cyano-4-(3-cyanoanilino)-7-ethoxyquinolin-6-yl]acetamide;N-[3-cyano-4-(4-cyanoanilino)-7-ethoxyquinolin-6-yl]acetamide;N-[3-cyano-4-[4-(1,1-difluoroethoxy)anilino]-7-ethoxyquinolin-6-yl]acetamide;N-[3-cyano-7-ethoxy-4-(3-methylanilino)quinolin-6-yl]acetamide;N-[3-cyano-7-ethoxy-4-(4-phenylanilino)quinolin-6-yl]acetamide;N-[3-cyano-7-ethoxy-4-[4-(trifluoromethyl)anilino]quinolin-6-yl]acetamide;N-[3-cyano-7-(methoxymethyl)-4-[(3-phenylmethoxyphenyl)methyl]quinolin-6-yl]acetamide?
The canonical SMILES for N-[4-(3-chloroanilino)-3-cyano-7-ethoxyquinolin-6-yl]acetamide;N-[4-(3-chloro-4-morpholin-4-ylanilino)-3-cyano-7-ethoxyquinolin-6-yl]acetamide;N-[4-(3-chloro-4-phenylmethoxyanilino)-3-cyano-7-ethoxyquinolin-6-yl]acetamide;(E)-N-[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]-3-cyano-7-ethoxyquinolin-6-yl]-4-(dimethylamino)but-2-enamide;N-[3-cyano-4-(3-cyanoanilino)-7-ethoxyquinolin-6-yl]acetamide;N-[3-cyano-4-(4-cyanoanilino)-7-ethoxyquinolin-6-yl]acetamide;N-[3-cyano-4-[4-(1,1-difluoroethoxy)anilino]-7-ethoxyquinolin-6-yl]acetamide;N-[3-cyano-7-ethoxy-4-(3-methylanilino)quinolin-6-yl]acetamide;N-[3-cyano-7-ethoxy-4-(4-phenylanilino)quinolin-6-yl]acetamide;N-[3-cyano-7-ethoxy-4-[4-(trifluoromethyl)anilino]quinolin-6-yl]acetamide;N-[3-cyano-7-(methoxymethyl)-4-[(3-phenylmethoxyphenyl)methyl]quinolin-6-yl]acetamide is CCOc1cc2ncc(C#N)c(Nc3ccc(-c4ccccc4)cc3)c2cc1NC(C)=O.CCOc1cc2ncc(C#N)c(Nc3ccc(C#N)cc3)c2cc1NC(C)=O.CCOc1cc2ncc(C#N)c(Nc3ccc(C(F)(F)F)cc3)c2cc1NC(C)=O.CCOc1cc2ncc(C#N)c(Nc3ccc(N4CCOCC4)c(Cl)c3)c2cc1NC(C)=O.CCOc1cc2ncc(C#N)c(Nc3ccc(OC(C)(F)F)cc3)c2cc1NC(C)=O.CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccccc4)c(Cl)c3)c2cc1NC(C)=O.CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccccn4)c(Cl)c3)c2cc1NC(=O)/C=C/CN(C)C.CCOc1cc2ncc(C#N)c(Nc3cccc(C#N)c3)c2cc1NC(C)=O.CCOc1cc2ncc(C#N)c(Nc3cccc(C)c3)c2cc1NC(C)=O.CCOc1cc2ncc(C#N)c(Nc3cccc(Cl)c3)c2cc1NC(C)=O.COCc1cc2ncc(C#N)c(Cc3cccc(OCc4ccccc4)c3)c2cc1NC(C)=O.
What is the InChIKey of N-[4-(3-chloroanilino)-3-cyano-7-ethoxyquinolin-6-yl]acetamide;N-[4-(3-chloro-4-morpholin-4-ylanilino)-3-cyano-7-ethoxyquinolin-6-yl]acetamide;N-[4-(3-chloro-4-phenylmethoxyanilino)-3-cyano-7-ethoxyquinolin-6-yl]acetamide;(E)-N-[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]-3-cyano-7-ethoxyquinolin-6-yl]-4-(dimethylamino)but-2-enamide;N-[3-cyano-4-(3-cyanoanilino)-7-ethoxyquinolin-6-yl]acetamide;N-[3-cyano-4-(4-cyanoanilino)-7-ethoxyquinolin-6-yl]acetamide;N-[3-cyano-4-[4-(1,1-difluoroethoxy)anilino]-7-ethoxyquinolin-6-yl]acetamide;N-[3-cyano-7-ethoxy-4-(3-methylanilino)quinolin-6-yl]acetamide;N-[3-cyano-7-ethoxy-4-(4-phenylanilino)quinolin-6-yl]acetamide;N-[3-cyano-7-ethoxy-4-[4-(trifluoromethyl)anilino]quinolin-6-yl]acetamide;N-[3-cyano-7-(methoxymethyl)-4-[(3-phenylmethoxyphenyl)methyl]quinolin-6-yl]acetamide?
The InChIKey is MKZISPAQTCAXOP-JLSSFYIWSA-N. The full InChI is InChI=1S/C30H29ClN6O3.C28H25N3O3.C27H23ClN4O3.C26H22N4O2.C24H24ClN5O3.C22H20F2N4O3.C21H17F3N4O2.2C21H17N5O2.C21H20N4O2.C20H17ClN4O2/c1-4-39-28-16-25-23(15-26(28)36-29(38)9-7-13-37(2)3)30(20(17-32)18-34-25)35-21-10-11-27(24(31)14-21)40-19-22-8-5-6-12-33-22;1-19(32)31-27-14-26-25(23(15-29)16-30-28(26)13-22(27)18-33-2)12-21-9-6-10-24(11-21)34-17-20-7-4-3-5-8-20;1-3-34-26-13-23-21(12-24(26)31-17(2)33)27(19(14-29)15-30-23)32-20-9-10-25(22(28)11-20)35-16-18-7-5-4-6-8-18;1-3-32-25-14-23-22(13-24(25)29-17(2)31)26(20(15-27)16-28-23)30-21-11-9-19(10-12-21)18-7-5-4-6-8-18;1-3-33-23-12-20-18(11-21(23)28-15(2)31)24(16(13-26)14-27-20)29-17-4-5-22(19(25)10-17)30-6-8-32-9-7-30;1-4-30-20-10-18-17(9-19(20)27-13(2)29)21(14(11-25)12-26-18)28-15-5-7-16(8-6-15)31-22(3,23)24;1-3-30-19-9-17-16(8-18(19)27-12(2)29)20(13(10-25)11-26-17)28-15-6-4-14(5-7-15)21(22,23)24;1-3-28-20-9-18-17(8-19(20)25-13(2)27)21(15(11-23)12-24-18)26-16-6-4-14(10-22)5-7-16;1-3-28-20-9-18-17(8-19(20)25-13(2)27)21(15(11-23)12-24-18)26-16-6-4-5-14(7-16)10-22;1-4-27-20-10-18-17(9-19(20)24-14(3)26)21(15(11-22)12-23-18)25-16-7-5-6-13(2)8-16;1-3-27-19-9-17-16(8-18(19)24-12(2)26)20(13(10-22)11-23-17)25-15-6-4-5-14(21)7-15/h5-12,14-16,18H,4,13,19H2,1-3H3,(H,34,35)(H,36,38);3-11,13-14,16H,12,17-18H2,1-2H3,(H,31,32);4-13,15H,3,16H2,1-2H3,(H,30,32)(H,31,33);4-14,16H,3H2,1-2H3,(H,28,30)(H,29,31);4-5,10-12,14H,3,6-9H2,1-2H3,(H,27,29)(H,28,31);5-10,12H,4H2,1-3H3,(H,26,28)(H,27,29);4-9,11H,3H2,1-2H3,(H,26,28)(H,27,29);2*4-9,12H,3H2,1-2H3,(H,24,26)(H,25,27);5-10,12H,4H2,1-3H3,(H,23,25)(H,24,26);4-9,11H,3H2,1-2H3,(H,23,25)(H,24,26)/b9-7+;;;;;;;;;;.
What are the key properties of N-[4-(3-chloroanilino)-3-cyano-7-ethoxyquinolin-6-yl]acetamide;N-[4-(3-chloro-4-morpholin-4-ylanilino)-3-cyano-7-ethoxyquinolin-6-yl]acetamide;N-[4-(3-chloro-4-phenylmethoxyanilino)-3-cyano-7-ethoxyquinolin-6-yl]acetamide;(E)-N-[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]-3-cyano-7-ethoxyquinolin-6-yl]-4-(dimethylamino)but-2-enamide;N-[3-cyano-4-(3-cyanoanilino)-7-ethoxyquinolin-6-yl]acetamide;N-[3-cyano-4-(4-cyanoanilino)-7-ethoxyquinolin-6-yl]acetamide;N-[3-cyano-4-[4-(1,1-difluoroethoxy)anilino]-7-ethoxyquinolin-6-yl]acetamide;N-[3-cyano-7-ethoxy-4-(3-methylanilino)quinolin-6-yl]acetamide;N-[3-cyano-7-ethoxy-4-(4-phenylanilino)quinolin-6-yl]acetamide;N-[3-cyano-7-ethoxy-4-[4-(trifluoromethyl)anilino]quinolin-6-yl]acetamide;N-[3-cyano-7-(methoxymethyl)-4-[(3-phenylmethoxyphenyl)methyl]quinolin-6-yl]acetamide?
N-[4-(3-chloroanilino)-3-cyano-7-ethoxyquinolin-6-yl]acetamide;N-[4-(3-chloro-4-morpholin-4-ylanilino)-3-cyano-7-ethoxyquinolin-6-yl]acetamide;N-[4-(3-chloro-4-phenylmethoxyanilino)-3-cyano-7-ethoxyquinolin-6-yl]acetamide;(E)-N-[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]-3-cyano-7-ethoxyquinolin-6-yl]-4-(dimethylamino)but-2-enamide;N-[3-cyano-4-(3-cyanoanilino)-7-ethoxyquinolin-6-yl]acetamide;N-[3-cyano-4-(4-cyanoanilino)-7-ethoxyquinolin-6-yl]acetamide;N-[3-cyano-4-[4-(1,1-difluoroethoxy)anilino]-7-ethoxyquinolin-6-yl]acetamide;N-[3-cyano-7-ethoxy-4-(3-methylanilino)quinolin-6-yl]acetamide;N-[3-cyano-7-ethoxy-4-(4-phenylanilino)quinolin-6-yl]acetamide;N-[3-cyano-7-ethoxy-4-[4-(trifluoromethyl)anilino]quinolin-6-yl]acetamide;N-[3-cyano-7-(methoxymethyl)-4-[(3-phenylmethoxyphenyl)methyl]quinolin-6-yl]acetamide has a molecular weight of 4708.83 g/mol, XLogP of 56.28, 71 rotatable bonds, 21 hydrogen bond donors, and 64 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-chloroanilino)-3-cyano-7-ethoxyquinolin-6-yl]acetamide;N-[4-(3-chloro-4-morpholin-4-ylanilino)-3-cyano-7-ethoxyquinolin-6-yl]acetamide;N-[4-(3-chloro-4-phenylmethoxyanilino)-3-cyano-7-ethoxyquinolin-6-yl]acetamide;(E)-N-[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]-3-cyano-7-ethoxyquinolin-6-yl]-4-(dimethylamino)but-2-enamide;N-[3-cyano-4-(3-cyanoanilino)-7-ethoxyquinolin-6-yl]acetamide;N-[3-cyano-4-(4-cyanoanilino)-7-ethoxyquinolin-6-yl]acetamide;N-[3-cyano-4-[4-(1,1-difluoroethoxy)anilino]-7-ethoxyquinolin-6-yl]acetamide;N-[3-cyano-7-ethoxy-4-(3-methylanilino)quinolin-6-yl]acetamide;N-[3-cyano-7-ethoxy-4-(4-phenylanilino)quinolin-6-yl]acetamide;N-[3-cyano-7-ethoxy-4-[4-(trifluoromethyl)anilino]quinolin-6-yl]acetamide;N-[3-cyano-7-(methoxymethyl)-4-[(3-phenylmethoxyphenyl)methyl]quinolin-6-yl]acetamide is sourced from PubChem (CID 159597063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).