N-[4-(4-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;N-[3-cyano-4-[4-(1,1-difluoroethoxy)anilino]-7-ethoxyquinolin-6-yl]acetamide;N-[3-cyano-7-ethoxy-4-(4-fluoroanilino)quinolin-6-yl]acetamide;N-[3-cyano-7-ethoxy-4-(4-methoxyanilino)quinolin-6-yl]acetamide;N-[3-cyano-7-ethoxy-4-(4-methylanilino)quinolin-6-yl]acetamide;N-[3-cyano-7-ethoxy-4-(4-phenylanilino)quinolin-6-yl]acetamide;N-[3-cyano-7-ethoxy-4-[(3-phenylmethoxyphenyl)methyl]quinolin-6-yl]acetamide;N-[3-cyano-7-ethoxy-4-[4-(trifluoromethyl)anilino]quinolin-6-yl]acetamide

C230H205Cl3F6N40O25 — CID 161012452

IUPACN-[4-(4-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;N-[3-cyano-4-[4-(1,1-difluoroethoxy)anilino]-7-ethoxyquinolin-6-yl]acetamide;N-[3-cyano-7-ethoxy-4-(4-fluoroanilino)quinolin-6-yl]acetamide;N-[3-cyano-7-ethoxy-4-(4-methoxyanilino)quinolin-6-yl]acetamide;N-[3-cyano-7-ethoxy-4-(4-methylanilino)quinolin-6-yl]acetamide;N-[3-cyano-7-ethoxy-4-(4-phenylanilino)quinolin-6-yl]acetamide;N-[3-cyano-7-ethoxy-4-[(3-phenylmethoxyphenyl)methyl]quinolin-6-yl]acetamide;N-[3-cyano-7-ethoxy-4-[4-(trifluoromethyl)anilino]quinolin-6-yl]acetamide
SMILESCCOc1cc2ncc(C#N)c(Cc3cccc(OCc4ccccc4)c3)c2cc1NC(C)=O.CCOc1cc2ncc(C#N)c(Nc3ccc(-c4ccccc4)cc3)c2cc1NC(C)=O.CCOc1cc2ncc(C#N)c(Nc3ccc(C(F)(F)F)cc3)c2cc1NC(C)=O.CCOc1cc2ncc(C#N)c(Nc3ccc(C)cc3)c2cc1NC(C)=O.CCOc1cc2ncc(C#N)c(Nc3ccc(Cl)cc3)c2cc1NC(C)=O.CCOc1cc2ncc(C#N)c(Nc3ccc(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(OC)cc3)c2cc1NC(C)=O.CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccccc4)c(Cl)c3)c2cc1NC(C)=O
InChIInChI=1S/C28H25N3O3.C27H23ClN4O3.C26H22N4O2.C24H24ClN5O3.C22H20F2N4O3.C21H17F3N4O2.C21H20N4O3.C21H20N4O2.C20H17ClN4O2.C20H17FN4O2/c1-3-33-28-15-26-25(14-27(28)31-19(2)32)24(22(16-29)17-30-26)13-21-10-7-11-23(12-21)34-18-20-8-5-4-6-9-20;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;1-4-28-20-10-18-17(9-19(20)24-13(2)26)21(14(11-22)12-23-18)25-15-5-7-16(27-3)8-6-15;1-4-27-20-10-18-17(9-19(20)24-14(3)26)21(15(11-22)12-23-18)25-16-7-5-13(2)6-8-16;2*1-3-27-19-9-17-16(8-18(19)24-12(2)26)20(13(10-22)11-23-17)25-15-6-4-14(21)5-7-15/h4-12,14-15,17H,3,13,18H2,1-2H3,(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);5-10,12H,4H2,1-3H3,(H,23,25)(H,24,26);5-10,12H,4H2,1-3H3,(H,23,25)(H,24,26);2*4-9,11H,3H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyTXHOPLNQDFAGRO-UHFFFAOYSA-N
MW4149.77 g/mol
LogP51.01
Rot. Bonds61

About N-[4-(4-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;N-[3-cyano-4-[4-(1,1-difluoroethoxy)anilino]-7-ethoxyquinolin-6-yl]acetamide;N-[3-cyano-7-ethoxy-4-(4-fluoroanilino)quinolin-6-yl]acetamide;N-[3-cyano-7-ethoxy-4-(4-methoxyanilino)quinolin-6-yl]acetamide;N-[3-cyano-7-ethoxy-4-(4-methylanilino)quinolin-6-yl]acetamide;N-[3-cyano-7-ethoxy-4-(4-phenylanilino)quinolin-6-yl]acetamide;N-[3-cyano-7-ethoxy-4-[(3-phenylmethoxyphenyl)methyl]quinolin-6-yl]acetamide;N-[3-cyano-7-ethoxy-4-[4-(trifluoromethyl)anilino]quinolin-6-yl]acetamide

N-[4-(4-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;N-[3-cyano-4-[4-(1,1-difluoroethoxy)anilino]-7-ethoxyquinolin-6-yl]acetamide;N-[3-cyano-7-ethoxy-4-(4-fluoroanilino)quinolin-6-yl]acetamide;N-[3-cyano-7-ethoxy-4-(4-methoxyanilino)quinolin-6-yl]acetamide;N-[3-cyano-7-ethoxy-4-(4-methylanilino)quinolin-6-yl]acetamide;N-[3-cyano-7-ethoxy-4-(4-phenylanilino)quinolin-6-yl]acetamide;N-[3-cyano-7-ethoxy-4-[(3-phenylmethoxyphenyl)methyl]quinolin-6-yl]acetamide;N-[3-cyano-7-ethoxy-4-[4-(trifluoromethyl)anilino]quinolin-6-yl]acetamide (PubChem CID 161012452) has the molecular formula C230H205Cl3F6N40O25 and a molecular weight of 4149.77 g/mol. Its IUPAC name is N-[4-(4-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;N-[3-cyano-4-[4-(1,1-difluoroethoxy)anilino]-7-ethoxyquinolin-6-yl]acetamide;N-[3-cyano-7-ethoxy-4-(4-fluoroanilino)quinolin-6-yl]acetamide;N-[3-cyano-7-ethoxy-4-(4-methoxyanilino)quinolin-6-yl]acetamide;N-[3-cyano-7-ethoxy-4-(4-methylanilino)quinolin-6-yl]acetamide;N-[3-cyano-7-ethoxy-4-(4-phenylanilino)quinolin-6-yl]acetamide;N-[3-cyano-7-ethoxy-4-[(3-phenylmethoxyphenyl)methyl]quinolin-6-yl]acetamide;N-[3-cyano-7-ethoxy-4-[4-(trifluoromethyl)anilino]quinolin-6-yl]acetamide.

Molecular Properties

Compound NameN-[4-(4-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;N-[3-cyano-4-[4-(1,1-difluoroethoxy)anilino]-7-ethoxyquinolin-6-yl]acetamide;N-[3-cyano-7-ethoxy-4-(4-fluoroanilino)quinolin-6-yl]acetamide;N-[3-cyano-7-ethoxy-4-(4-methoxyanilino)quinolin-6-yl]acetamide;N-[3-cyano-7-ethoxy-4-(4-methylanilino)quinolin-6-yl]acetamide;N-[3-cyano-7-ethoxy-4-(4-phenylanilino)quinolin-6-yl]acetamide;N-[3-cyano-7-ethoxy-4-[(3-phenylmethoxyphenyl)methyl]quinolin-6-yl]acetamide;N-[3-cyano-7-ethoxy-4-[4-(trifluoromethyl)anilino]quinolin-6-yl]acetamide
PubChem CID161012452
Molecular FormulaC230H205Cl3F6N40O25
Molecular Weight4149.77 g/mol
Exact Mass4145.50
IUPAC NameN-[4-(4-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;N-[3-cyano-4-[4-(1,1-difluoroethoxy)anilino]-7-ethoxyquinolin-6-yl]acetamide;N-[3-cyano-7-ethoxy-4-(4-fluoroanilino)quinolin-6-yl]acetamide;N-[3-cyano-7-ethoxy-4-(4-methoxyanilino)quinolin-6-yl]acetamide;N-[3-cyano-7-ethoxy-4-(4-methylanilino)quinolin-6-yl]acetamide;N-[3-cyano-7-ethoxy-4-(4-phenylanilino)quinolin-6-yl]acetamide;N-[3-cyano-7-ethoxy-4-[(3-phenylmethoxyphenyl)methyl]quinolin-6-yl]acetamide;N-[3-cyano-7-ethoxy-4-[4-(trifluoromethyl)anilino]quinolin-6-yl]acetamide
SMILESCCOc1cc2ncc(C#N)c(Cc3cccc(OCc4ccccc4)c3)c2cc1NC(C)=O.CCOc1cc2ncc(C#N)c(Nc3ccc(-c4ccccc4)cc3)c2cc1NC(C)=O.CCOc1cc2ncc(C#N)c(Nc3ccc(C(F)(F)F)cc3)c2cc1NC(C)=O.CCOc1cc2ncc(C#N)c(Nc3ccc(C)cc3)c2cc1NC(C)=O.CCOc1cc2ncc(C#N)c(Nc3ccc(Cl)cc3)c2cc1NC(C)=O.CCOc1cc2ncc(C#N)c(Nc3ccc(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(OC)cc3)c2cc1NC(C)=O.CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccccc4)c(Cl)c3)c2cc1NC(C)=O
InChIInChI=1S/C28H25N3O3.C27H23ClN4O3.C26H22N4O2.C24H24ClN5O3.C22H20F2N4O3.C21H17F3N4O2.C21H20N4O3.C21H20N4O2.C20H17ClN4O2.C20H17FN4O2/c1-3-33-28-15-26-25(14-27(28)31-19(2)32)24(22(16-29)17-30-26)13-21-10-7-11-23(12-21)34-18-20-8-5-4-6-9-20;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;1-4-28-20-10-18-17(9-19(20)24-13(2)26)21(14(11-22)12-23-18)25-15-5-7-16(27-3)8-6-15;1-4-27-20-10-18-17(9-19(20)24-14(3)26)21(15(11-22)12-23-18)25-16-7-5-13(2)6-8-16;2*1-3-27-19-9-17-16(8-18(19)24-12(2)26)20(13(10-22)11-23-17)25-15-6-4-14(21)5-7-15/h4-12,14-15,17H,3,13,18H2,1-2H3,(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);5-10,12H,4H2,1-3H3,(H,23,25)(H,24,26);5-10,12H,4H2,1-3H3,(H,23,25)(H,24,26);2*4-9,11H,3H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyTXHOPLNQDFAGRO-UHFFFAOYSA-N
XLogP51.01
TPSA907.76 Ų
H-Bond Donors19
H-Bond Acceptors55
Rotatable Bonds61
Heavy Atoms304
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004149.77
LogP ≤ 551.01
H-Bond Donors ≤ 519
H-Bond Acceptors ≤ 1055

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze N-[4-(4-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;N-[3-cyano-4-[4-(1,1-difluoroethoxy)anilino]-7-ethoxyquinolin-6-yl]acetamide;N-[3-cyano-7-ethoxy-4-(4-fluoroanilino)quinolin-6-yl]acetamide;N-[3-cyano-7-ethoxy-4-(4-methoxyanilino)quinolin-6-yl]acetamide;N-[3-cyano-7-ethoxy-4-(4-methylanilino)quinolin-6-yl]acetamide;N-[3-cyano-7-ethoxy-4-(4-phenylanilino)quinolin-6-yl]acetamide;N-[3-cyano-7-ethoxy-4-[(3-phenylmethoxyphenyl)methyl]quinolin-6-yl]acetamide;N-[3-cyano-7-ethoxy-4-[4-(trifluoromethyl)anilino]quinolin-6-yl]acetamide with MolForge

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Related Compounds

Neratinib
CID 9915743
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
N-(4-{[3-Chloro-4-(Pyridin-2-Ylmethoxy)phenyl]amino}-3-Cyano-7-Ethoxyquinolin-6-Yl)-4-(Dimethylamino)butanamide
CID 44560357
4-Dimethylamino-but-2-enoic acid {4-[3-chloro-4-(pyridin-4-yloxy)-phenylamino]-3-cyano-7-ethoxy-quinolin-6-yl}-amide
CID 11168731
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
N-[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]-3-cyano-7-ethoxyquinolin-6-yl]prop-2-enamide
CID 70694245
4-Diisopropylamino-but-2-enoic acid [4-(4-benzyloxy-3-chloro-phenylamino)-3-cyano-7-ethoxy-quinolin-6-yl]-amide
CID 11157794
(E)-N-[4-(3-chloro-4-phenylmethoxyanilino)-3-cyano-7-ethoxyquinolin-6-yl]-4-piperidin-1-ylbut-2-enamide
CID 11180905

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-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;N-[3-cyano-4-[4-(1,1-difluoroethoxy)anilino]-7-ethoxyquinolin-6-yl]acetamide;N-[3-cyano-7-ethoxy-4-(4-fluoroanilino)quinolin-6-yl]acetamide;N-[3-cyano-7-ethoxy-4-(4-methoxyanilino)quinolin-6-yl]acetamide;N-[3-cyano-7-ethoxy-4-(4-methylanilino)quinolin-6-yl]acetamide;N-[3-cyano-7-ethoxy-4-(4-phenylanilino)quinolin-6-yl]acetamide;N-[3-cyano-7-ethoxy-4-[(3-phenylmethoxyphenyl)methyl]quinolin-6-yl]acetamide;N-[3-cyano-7-ethoxy-4-[4-(trifluoromethyl)anilino]quinolin-6-yl]acetamide?
The IUPAC name of N-[4-(4-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;N-[3-cyano-4-[4-(1,1-difluoroethoxy)anilino]-7-ethoxyquinolin-6-yl]acetamide;N-[3-cyano-7-ethoxy-4-(4-fluoroanilino)quinolin-6-yl]acetamide;N-[3-cyano-7-ethoxy-4-(4-methoxyanilino)quinolin-6-yl]acetamide;N-[3-cyano-7-ethoxy-4-(4-methylanilino)quinolin-6-yl]acetamide;N-[3-cyano-7-ethoxy-4-(4-phenylanilino)quinolin-6-yl]acetamide;N-[3-cyano-7-ethoxy-4-[(3-phenylmethoxyphenyl)methyl]quinolin-6-yl]acetamide;N-[3-cyano-7-ethoxy-4-[4-(trifluoromethyl)anilino]quinolin-6-yl]acetamide (CID 161012452) is N-[4-(4-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;N-[3-cyano-4-[4-(1,1-difluoroethoxy)anilino]-7-ethoxyquinolin-6-yl]acetamide;N-[3-cyano-7-ethoxy-4-(4-fluoroanilino)quinolin-6-yl]acetamide;N-[3-cyano-7-ethoxy-4-(4-methoxyanilino)quinolin-6-yl]acetamide;N-[3-cyano-7-ethoxy-4-(4-methylanilino)quinolin-6-yl]acetamide;N-[3-cyano-7-ethoxy-4-(4-phenylanilino)quinolin-6-yl]acetamide;N-[3-cyano-7-ethoxy-4-[(3-phenylmethoxyphenyl)methyl]quinolin-6-yl]acetamide;N-[3-cyano-7-ethoxy-4-[4-(trifluoromethyl)anilino]quinolin-6-yl]acetamide.
What is the SMILES notation for N-[4-(4-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;N-[3-cyano-4-[4-(1,1-difluoroethoxy)anilino]-7-ethoxyquinolin-6-yl]acetamide;N-[3-cyano-7-ethoxy-4-(4-fluoroanilino)quinolin-6-yl]acetamide;N-[3-cyano-7-ethoxy-4-(4-methoxyanilino)quinolin-6-yl]acetamide;N-[3-cyano-7-ethoxy-4-(4-methylanilino)quinolin-6-yl]acetamide;N-[3-cyano-7-ethoxy-4-(4-phenylanilino)quinolin-6-yl]acetamide;N-[3-cyano-7-ethoxy-4-[(3-phenylmethoxyphenyl)methyl]quinolin-6-yl]acetamide;N-[3-cyano-7-ethoxy-4-[4-(trifluoromethyl)anilino]quinolin-6-yl]acetamide?
The canonical SMILES for N-[4-(4-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;N-[3-cyano-4-[4-(1,1-difluoroethoxy)anilino]-7-ethoxyquinolin-6-yl]acetamide;N-[3-cyano-7-ethoxy-4-(4-fluoroanilino)quinolin-6-yl]acetamide;N-[3-cyano-7-ethoxy-4-(4-methoxyanilino)quinolin-6-yl]acetamide;N-[3-cyano-7-ethoxy-4-(4-methylanilino)quinolin-6-yl]acetamide;N-[3-cyano-7-ethoxy-4-(4-phenylanilino)quinolin-6-yl]acetamide;N-[3-cyano-7-ethoxy-4-[(3-phenylmethoxyphenyl)methyl]quinolin-6-yl]acetamide;N-[3-cyano-7-ethoxy-4-[4-(trifluoromethyl)anilino]quinolin-6-yl]acetamide is CCOc1cc2ncc(C#N)c(Cc3cccc(OCc4ccccc4)c3)c2cc1NC(C)=O.CCOc1cc2ncc(C#N)c(Nc3ccc(-c4ccccc4)cc3)c2cc1NC(C)=O.CCOc1cc2ncc(C#N)c(Nc3ccc(C(F)(F)F)cc3)c2cc1NC(C)=O.CCOc1cc2ncc(C#N)c(Nc3ccc(C)cc3)c2cc1NC(C)=O.CCOc1cc2ncc(C#N)c(Nc3ccc(Cl)cc3)c2cc1NC(C)=O.CCOc1cc2ncc(C#N)c(Nc3ccc(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(OC)cc3)c2cc1NC(C)=O.CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccccc4)c(Cl)c3)c2cc1NC(C)=O.
What is the InChIKey of N-[4-(4-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;N-[3-cyano-4-[4-(1,1-difluoroethoxy)anilino]-7-ethoxyquinolin-6-yl]acetamide;N-[3-cyano-7-ethoxy-4-(4-fluoroanilino)quinolin-6-yl]acetamide;N-[3-cyano-7-ethoxy-4-(4-methoxyanilino)quinolin-6-yl]acetamide;N-[3-cyano-7-ethoxy-4-(4-methylanilino)quinolin-6-yl]acetamide;N-[3-cyano-7-ethoxy-4-(4-phenylanilino)quinolin-6-yl]acetamide;N-[3-cyano-7-ethoxy-4-[(3-phenylmethoxyphenyl)methyl]quinolin-6-yl]acetamide;N-[3-cyano-7-ethoxy-4-[4-(trifluoromethyl)anilino]quinolin-6-yl]acetamide?
The InChIKey is TXHOPLNQDFAGRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25N3O3.C27H23ClN4O3.C26H22N4O2.C24H24ClN5O3.C22H20F2N4O3.C21H17F3N4O2.C21H20N4O3.C21H20N4O2.C20H17ClN4O2.C20H17FN4O2/c1-3-33-28-15-26-25(14-27(28)31-19(2)32)24(22(16-29)17-30-26)13-21-10-7-11-23(12-21)34-18-20-8-5-4-6-9-20;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;1-4-28-20-10-18-17(9-19(20)24-13(2)26)21(14(11-22)12-23-18)25-15-5-7-16(27-3)8-6-15;1-4-27-20-10-18-17(9-19(20)24-14(3)26)21(15(11-22)12-23-18)25-16-7-5-13(2)6-8-16;2*1-3-27-19-9-17-16(8-18(19)24-12(2)26)20(13(10-22)11-23-17)25-15-6-4-14(21)5-7-15/h4-12,14-15,17H,3,13,18H2,1-2H3,(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);5-10,12H,4H2,1-3H3,(H,23,25)(H,24,26);5-10,12H,4H2,1-3H3,(H,23,25)(H,24,26);2*4-9,11H,3H2,1-2H3,(H,23,25)(H,24,26).
What are the key properties of N-[4-(4-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;N-[3-cyano-4-[4-(1,1-difluoroethoxy)anilino]-7-ethoxyquinolin-6-yl]acetamide;N-[3-cyano-7-ethoxy-4-(4-fluoroanilino)quinolin-6-yl]acetamide;N-[3-cyano-7-ethoxy-4-(4-methoxyanilino)quinolin-6-yl]acetamide;N-[3-cyano-7-ethoxy-4-(4-methylanilino)quinolin-6-yl]acetamide;N-[3-cyano-7-ethoxy-4-(4-phenylanilino)quinolin-6-yl]acetamide;N-[3-cyano-7-ethoxy-4-[(3-phenylmethoxyphenyl)methyl]quinolin-6-yl]acetamide;N-[3-cyano-7-ethoxy-4-[4-(trifluoromethyl)anilino]quinolin-6-yl]acetamide?
N-[4-(4-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;N-[3-cyano-4-[4-(1,1-difluoroethoxy)anilino]-7-ethoxyquinolin-6-yl]acetamide;N-[3-cyano-7-ethoxy-4-(4-fluoroanilino)quinolin-6-yl]acetamide;N-[3-cyano-7-ethoxy-4-(4-methoxyanilino)quinolin-6-yl]acetamide;N-[3-cyano-7-ethoxy-4-(4-methylanilino)quinolin-6-yl]acetamide;N-[3-cyano-7-ethoxy-4-(4-phenylanilino)quinolin-6-yl]acetamide;N-[3-cyano-7-ethoxy-4-[(3-phenylmethoxyphenyl)methyl]quinolin-6-yl]acetamide;N-[3-cyano-7-ethoxy-4-[4-(trifluoromethyl)anilino]quinolin-6-yl]acetamide has a molecular weight of 4149.77 g/mol, XLogP of 51.01, 61 rotatable bonds, 19 hydrogen bond donors, and 55 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-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;N-[3-cyano-4-[4-(1,1-difluoroethoxy)anilino]-7-ethoxyquinolin-6-yl]acetamide;N-[3-cyano-7-ethoxy-4-(4-fluoroanilino)quinolin-6-yl]acetamide;N-[3-cyano-7-ethoxy-4-(4-methoxyanilino)quinolin-6-yl]acetamide;N-[3-cyano-7-ethoxy-4-(4-methylanilino)quinolin-6-yl]acetamide;N-[3-cyano-7-ethoxy-4-(4-phenylanilino)quinolin-6-yl]acetamide;N-[3-cyano-7-ethoxy-4-[(3-phenylmethoxyphenyl)methyl]quinolin-6-yl]acetamide;N-[3-cyano-7-ethoxy-4-[4-(trifluoromethyl)anilino]quinolin-6-yl]acetamide is sourced from PubChem (CID 161012452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).