N-[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]-3-cyano-7-ethoxyquinolin-6-yl]-2-cyclohexylacetamide;N-[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]-3-cyano-7-ethoxyquinolin-6-yl]-5-methylhexanamide;N-[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]-3-cyano-7-ethoxyquinolin-6-yl]-4-piperidin-1-ylbutanamide;N-[3-cyano-7-ethoxy-4-(3-methoxyanilino)quinolin-6-yl]acetamide;N-[3-cyano-7-ethoxy-4-(3-methylanilino)quinolin-6-yl]acetamide;N-[3-cyano-7-ethoxy-4-(3-methylsulfonylanilino)quinolin-6-yl]acetamide;N-[3-cyano-7-ethoxy-4-(3-phenylanilino)quinolin-6-yl]acetamide;N-[3-cyano-7-ethoxy-4-[3-(trifluoromethoxy)anilino]quinolin-6-yl]acetamide;N-[3-cyano-7-ethoxy-4-[3-(trifluoromethyl)anilino]quinolin-6-yl]acetamide

C227H215Cl3F6N40O25S — CID 157191837

IUPACN-[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]-3-cyano-7-ethoxyquinolin-6-yl]-2-cyclohexylacetamide;N-[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]-3-cyano-7-ethoxyquinolin-6-yl]-5-methylhexanamide;N-[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]-3-cyano-7-ethoxyquinolin-6-yl]-4-piperidin-1-ylbutanamide;N-[3-cyano-7-ethoxy-4-(3-methoxyanilino)quinolin-6-yl]acetamide;N-[3-cyano-7-ethoxy-4-(3-methylanilino)quinolin-6-yl]acetamide;N-[3-cyano-7-ethoxy-4-(3-methylsulfonylanilino)quinolin-6-yl]acetamide;N-[3-cyano-7-ethoxy-4-(3-phenylanilino)quinolin-6-yl]acetamide;N-[3-cyano-7-ethoxy-4-[3-(trifluoromethoxy)anilino]quinolin-6-yl]acetamide;N-[3-cyano-7-ethoxy-4-[3-(trifluoromethyl)anilino]quinolin-6-yl]acetamide
SMILESCCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccccn4)c(Cl)c3)c2cc1NC(=O)CC1CCCCC1.CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccccn4)c(Cl)c3)c2cc1NC(=O)CCCC(C)C.CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccccn4)c(Cl)c3)c2cc1NC(=O)CCCN1CCCCC1.CCOc1cc2ncc(C#N)c(Nc3cccc(-c4ccccc4)c3)c2cc1NC(C)=O.CCOc1cc2ncc(C#N)c(Nc3cccc(C(F)(F)F)c3)c2cc1NC(C)=O.CCOc1cc2ncc(C#N)c(Nc3cccc(C)c3)c2cc1NC(C)=O.CCOc1cc2ncc(C#N)c(Nc3cccc(OC(F)(F)F)c3)c2cc1NC(C)=O.CCOc1cc2ncc(C#N)c(Nc3cccc(OC)c3)c2cc1NC(C)=O.CCOc1cc2ncc(C#N)c(Nc3cccc(S(C)(=O)=O)c3)c2cc1NC(C)=O
InChIInChI=1S/C33H35ClN6O3.C32H32ClN5O3.C31H32ClN5O3.C26H22N4O2.C21H17F3N4O3.C21H17F3N4O2.C21H20N4O4S.C21H20N4O3.C21H20N4O2/c1-2-42-31-19-28-26(18-29(31)39-32(41)10-8-16-40-14-6-3-7-15-40)33(23(20-35)21-37-28)38-24-11-12-30(27(34)17-24)43-22-25-9-4-5-13-36-25;1-2-40-30-17-27-25(16-28(30)38-31(39)14-21-8-4-3-5-9-21)32(22(18-34)19-36-27)37-23-11-12-29(26(33)15-23)41-20-24-10-6-7-13-35-24;1-4-39-29-16-26-24(15-27(29)37-30(38)10-7-8-20(2)3)31(21(17-33)18-35-26)36-22-11-12-28(25(32)14-22)40-19-23-9-5-6-13-34-23;1-3-32-25-14-23-22(13-24(25)29-17(2)31)26(20(15-27)16-28-23)30-21-11-7-10-19(12-21)18-8-5-4-6-9-18;1-3-30-19-9-17-16(8-18(19)27-12(2)29)20(13(10-25)11-26-17)28-14-5-4-6-15(7-14)31-21(22,23)24;1-3-30-19-9-17-16(8-18(19)27-12(2)29)20(13(10-25)11-26-17)28-15-6-4-5-14(7-15)21(22,23)24;1-4-29-20-10-18-17(9-19(20)24-13(2)26)21(14(11-22)12-23-18)25-15-6-5-7-16(8-15)30(3,27)28;1-4-28-20-10-18-17(9-19(20)24-13(2)26)21(14(11-22)12-23-18)25-15-6-5-7-16(8-15)27-3;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/h4-5,9,11-13,17-19,21H,2-3,6-8,10,14-16,22H2,1H3,(H,37,38)(H,39,41);6-7,10-13,15-17,19,21H,2-5,8-9,14,20H2,1H3,(H,36,37)(H,38,39);5-6,9,11-16,18,20H,4,7-8,10,19H2,1-3H3,(H,35,36)(H,37,38);4-14,16H,3H2,1-2H3,(H,28,30)(H,29,31);4-9,11H,3H2,1-2H3,(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);5-10,12H,4H2,1-3H3,(H,23,25)(H,24,26)
InChIKeyAPUCIRHIJUEUKU-UHFFFAOYSA-N
MW4155.89 g/mol
LogP51.05
Rot. Bonds68

About N-[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]-3-cyano-7-ethoxyquinolin-6-yl]-2-cyclohexylacetamide;N-[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]-3-cyano-7-ethoxyquinolin-6-yl]-5-methylhexanamide;N-[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]-3-cyano-7-ethoxyquinolin-6-yl]-4-piperidin-1-ylbutanamide;N-[3-cyano-7-ethoxy-4-(3-methoxyanilino)quinolin-6-yl]acetamide;N-[3-cyano-7-ethoxy-4-(3-methylanilino)quinolin-6-yl]acetamide;N-[3-cyano-7-ethoxy-4-(3-methylsulfonylanilino)quinolin-6-yl]acetamide;N-[3-cyano-7-ethoxy-4-(3-phenylanilino)quinolin-6-yl]acetamide;N-[3-cyano-7-ethoxy-4-[3-(trifluoromethoxy)anilino]quinolin-6-yl]acetamide;N-[3-cyano-7-ethoxy-4-[3-(trifluoromethyl)anilino]quinolin-6-yl]acetamide

N-[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]-3-cyano-7-ethoxyquinolin-6-yl]-2-cyclohexylacetamide;N-[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]-3-cyano-7-ethoxyquinolin-6-yl]-5-methylhexanamide;N-[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]-3-cyano-7-ethoxyquinolin-6-yl]-4-piperidin-1-ylbutanamide;N-[3-cyano-7-ethoxy-4-(3-methoxyanilino)quinolin-6-yl]acetamide;N-[3-cyano-7-ethoxy-4-(3-methylanilino)quinolin-6-yl]acetamide;N-[3-cyano-7-ethoxy-4-(3-methylsulfonylanilino)quinolin-6-yl]acetamide;N-[3-cyano-7-ethoxy-4-(3-phenylanilino)quinolin-6-yl]acetamide;N-[3-cyano-7-ethoxy-4-[3-(trifluoromethoxy)anilino]quinolin-6-yl]acetamide;N-[3-cyano-7-ethoxy-4-[3-(trifluoromethyl)anilino]quinolin-6-yl]acetamide (PubChem CID 157191837) has the molecular formula C227H215Cl3F6N40O25S and a molecular weight of 4155.89 g/mol. Its IUPAC name is N-[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]-3-cyano-7-ethoxyquinolin-6-yl]-2-cyclohexylacetamide;N-[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]-3-cyano-7-ethoxyquinolin-6-yl]-5-methylhexanamide;N-[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]-3-cyano-7-ethoxyquinolin-6-yl]-4-piperidin-1-ylbutanamide;N-[3-cyano-7-ethoxy-4-(3-methoxyanilino)quinolin-6-yl]acetamide;N-[3-cyano-7-ethoxy-4-(3-methylanilino)quinolin-6-yl]acetamide;N-[3-cyano-7-ethoxy-4-(3-methylsulfonylanilino)quinolin-6-yl]acetamide;N-[3-cyano-7-ethoxy-4-(3-phenylanilino)quinolin-6-yl]acetamide;N-[3-cyano-7-ethoxy-4-[3-(trifluoromethoxy)anilino]quinolin-6-yl]acetamide;N-[3-cyano-7-ethoxy-4-[3-(trifluoromethyl)anilino]quinolin-6-yl]acetamide.

Molecular Properties

Compound NameN-[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]-3-cyano-7-ethoxyquinolin-6-yl]-2-cyclohexylacetamide;N-[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]-3-cyano-7-ethoxyquinolin-6-yl]-5-methylhexanamide;N-[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]-3-cyano-7-ethoxyquinolin-6-yl]-4-piperidin-1-ylbutanamide;N-[3-cyano-7-ethoxy-4-(3-methoxyanilino)quinolin-6-yl]acetamide;N-[3-cyano-7-ethoxy-4-(3-methylanilino)quinolin-6-yl]acetamide;N-[3-cyano-7-ethoxy-4-(3-methylsulfonylanilino)quinolin-6-yl]acetamide;N-[3-cyano-7-ethoxy-4-(3-phenylanilino)quinolin-6-yl]acetamide;N-[3-cyano-7-ethoxy-4-[3-(trifluoromethoxy)anilino]quinolin-6-yl]acetamide;N-[3-cyano-7-ethoxy-4-[3-(trifluoromethyl)anilino]quinolin-6-yl]acetamide
PubChem CID157191837
Molecular FormulaC227H215Cl3F6N40O25S
Molecular Weight4155.89 g/mol
Exact Mass4151.55
IUPAC NameN-[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]-3-cyano-7-ethoxyquinolin-6-yl]-2-cyclohexylacetamide;N-[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]-3-cyano-7-ethoxyquinolin-6-yl]-5-methylhexanamide;N-[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]-3-cyano-7-ethoxyquinolin-6-yl]-4-piperidin-1-ylbutanamide;N-[3-cyano-7-ethoxy-4-(3-methoxyanilino)quinolin-6-yl]acetamide;N-[3-cyano-7-ethoxy-4-(3-methylanilino)quinolin-6-yl]acetamide;N-[3-cyano-7-ethoxy-4-(3-methylsulfonylanilino)quinolin-6-yl]acetamide;N-[3-cyano-7-ethoxy-4-(3-phenylanilino)quinolin-6-yl]acetamide;N-[3-cyano-7-ethoxy-4-[3-(trifluoromethoxy)anilino]quinolin-6-yl]acetamide;N-[3-cyano-7-ethoxy-4-[3-(trifluoromethyl)anilino]quinolin-6-yl]acetamide
SMILESCCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccccn4)c(Cl)c3)c2cc1NC(=O)CC1CCCCC1.CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccccn4)c(Cl)c3)c2cc1NC(=O)CCCC(C)C.CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccccn4)c(Cl)c3)c2cc1NC(=O)CCCN1CCCCC1.CCOc1cc2ncc(C#N)c(Nc3cccc(-c4ccccc4)c3)c2cc1NC(C)=O.CCOc1cc2ncc(C#N)c(Nc3cccc(C(F)(F)F)c3)c2cc1NC(C)=O.CCOc1cc2ncc(C#N)c(Nc3cccc(C)c3)c2cc1NC(C)=O.CCOc1cc2ncc(C#N)c(Nc3cccc(OC(F)(F)F)c3)c2cc1NC(C)=O.CCOc1cc2ncc(C#N)c(Nc3cccc(OC)c3)c2cc1NC(C)=O.CCOc1cc2ncc(C#N)c(Nc3cccc(S(C)(=O)=O)c3)c2cc1NC(C)=O
InChIInChI=1S/C33H35ClN6O3.C32H32ClN5O3.C31H32ClN5O3.C26H22N4O2.C21H17F3N4O3.C21H17F3N4O2.C21H20N4O4S.C21H20N4O3.C21H20N4O2/c1-2-42-31-19-28-26(18-29(31)39-32(41)10-8-16-40-14-6-3-7-15-40)33(23(20-35)21-37-28)38-24-11-12-30(27(34)17-24)43-22-25-9-4-5-13-36-25;1-2-40-30-17-27-25(16-28(30)38-31(39)14-21-8-4-3-5-9-21)32(22(18-34)19-36-27)37-23-11-12-29(26(33)15-23)41-20-24-10-6-7-13-35-24;1-4-39-29-16-26-24(15-27(29)37-30(38)10-7-8-20(2)3)31(21(17-33)18-35-26)36-22-11-12-28(25(32)14-22)40-19-23-9-5-6-13-34-23;1-3-32-25-14-23-22(13-24(25)29-17(2)31)26(20(15-27)16-28-23)30-21-11-7-10-19(12-21)18-8-5-4-6-9-18;1-3-30-19-9-17-16(8-18(19)27-12(2)29)20(13(10-25)11-26-17)28-14-5-4-6-15(7-14)31-21(22,23)24;1-3-30-19-9-17-16(8-18(19)27-12(2)29)20(13(10-25)11-26-17)28-15-6-4-5-14(7-15)21(22,23)24;1-4-29-20-10-18-17(9-19(20)24-13(2)26)21(14(11-22)12-23-18)25-15-6-5-7-16(8-15)30(3,27)28;1-4-28-20-10-18-17(9-19(20)24-13(2)26)21(14(11-22)12-23-18)25-15-6-5-7-16(8-15)27-3;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/h4-5,9,11-13,17-19,21H,2-3,6-8,10,14-16,22H2,1H3,(H,37,38)(H,39,41);6-7,10-13,15-17,19,21H,2-5,8-9,14,20H2,1H3,(H,36,37)(H,38,39);5-6,9,11-16,18,20H,4,7-8,10,19H2,1-3H3,(H,35,36)(H,37,38);4-14,16H,3H2,1-2H3,(H,28,30)(H,29,31);4-9,11H,3H2,1-2H3,(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);5-10,12H,4H2,1-3H3,(H,23,25)(H,24,26)
InChIKeyAPUCIRHIJUEUKU-UHFFFAOYSA-N
XLogP51.05
TPSA905.56 Ų
H-Bond Donors18
H-Bond Acceptors56
Rotatable Bonds68
Heavy Atoms302
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004155.89
LogP ≤ 551.05
H-Bond Donors ≤ 518
H-Bond Acceptors ≤ 1056

Analyze N-[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]-3-cyano-7-ethoxyquinolin-6-yl]-2-cyclohexylacetamide;N-[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]-3-cyano-7-ethoxyquinolin-6-yl]-5-methylhexanamide;N-[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]-3-cyano-7-ethoxyquinolin-6-yl]-4-piperidin-1-ylbutanamide;N-[3-cyano-7-ethoxy-4-(3-methoxyanilino)quinolin-6-yl]acetamide;N-[3-cyano-7-ethoxy-4-(3-methylanilino)quinolin-6-yl]acetamide;N-[3-cyano-7-ethoxy-4-(3-methylsulfonylanilino)quinolin-6-yl]acetamide;N-[3-cyano-7-ethoxy-4-(3-phenylanilino)quinolin-6-yl]acetamide;N-[3-cyano-7-ethoxy-4-[3-(trifluoromethoxy)anilino]quinolin-6-yl]acetamide;N-[3-cyano-7-ethoxy-4-[3-(trifluoromethyl)anilino]quinolin-6-yl]acetamide with MolForge

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Related Compounds

US10774068, Example 99
CID 145220430
(E)-N-[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]-3-cyano-7-ethoxyquinolin-6-yl]-4-[methyl(2-methylsulfonylethyl)amino]but-2-enamide
CID 50939586
(E)-N-[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]-3-cyano-7-ethoxyquinolin-6-yl]-4-[(1,1-dioxothian-4-yl)methyl-methylamino]but-2-enamide
CID 50939852
(E)-N-[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]-3-cyano-7-ethoxyquinolin-6-yl]-4-[(1,1-dioxothian-4-yl)methylamino]but-2-enamide
CID 50939853
N-[4-(3-chloro-4-fluoroanilino)-3-cyano-7-ethoxyquinolin-6-yl]-N-[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]-3-cyano-7-ethoxyquinolin-6-yl]-4-(dimethylamino)but-2-enamide
CID 91223713
N-[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]-3-cyano-7-ethoxyquinolin-6-yl]-5-(1,2,2-trioxodithiolan-3-yl)pentanamide
CID 135236456
N-[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]-3-cyano-7-ethoxyquinolin-6-yl]-5-(2-oxodithiolan-3-yl)pentanamide
CID 135236846
N-[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]-3-cyano-7-ethoxyquinolin-6-yl]-5-(1,1,2-trioxodithiolan-3-yl)pentanamide
CID 135236848
N-[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]-3-cyano-7-ethoxyquinolin-6-yl]-5-(2,2-dioxodithiolan-3-yl)pentanamide
CID 135236852
N-[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]-3-cyano-7-ethoxyquinolin-6-yl]-5-(1,1,2,2-tetraoxodithiolan-3-yl)pentanamide
CID 135236888
N-[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]-3-cyano-7-ethoxyquinolin-6-yl]-5-(1,1-dioxodithiolan-3-yl)pentanamide
CID 135236891
N-[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]-3-cyano-7-ethoxyquinolin-6-yl]-5-(1,2-dioxodithiolan-3-yl)pentanamide
CID 135236902

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]-3-cyano-7-ethoxyquinolin-6-yl]-2-cyclohexylacetamide;N-[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]-3-cyano-7-ethoxyquinolin-6-yl]-5-methylhexanamide;N-[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]-3-cyano-7-ethoxyquinolin-6-yl]-4-piperidin-1-ylbutanamide;N-[3-cyano-7-ethoxy-4-(3-methoxyanilino)quinolin-6-yl]acetamide;N-[3-cyano-7-ethoxy-4-(3-methylanilino)quinolin-6-yl]acetamide;N-[3-cyano-7-ethoxy-4-(3-methylsulfonylanilino)quinolin-6-yl]acetamide;N-[3-cyano-7-ethoxy-4-(3-phenylanilino)quinolin-6-yl]acetamide;N-[3-cyano-7-ethoxy-4-[3-(trifluoromethoxy)anilino]quinolin-6-yl]acetamide;N-[3-cyano-7-ethoxy-4-[3-(trifluoromethyl)anilino]quinolin-6-yl]acetamide?
The IUPAC name of N-[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]-3-cyano-7-ethoxyquinolin-6-yl]-2-cyclohexylacetamide;N-[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]-3-cyano-7-ethoxyquinolin-6-yl]-5-methylhexanamide;N-[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]-3-cyano-7-ethoxyquinolin-6-yl]-4-piperidin-1-ylbutanamide;N-[3-cyano-7-ethoxy-4-(3-methoxyanilino)quinolin-6-yl]acetamide;N-[3-cyano-7-ethoxy-4-(3-methylanilino)quinolin-6-yl]acetamide;N-[3-cyano-7-ethoxy-4-(3-methylsulfonylanilino)quinolin-6-yl]acetamide;N-[3-cyano-7-ethoxy-4-(3-phenylanilino)quinolin-6-yl]acetamide;N-[3-cyano-7-ethoxy-4-[3-(trifluoromethoxy)anilino]quinolin-6-yl]acetamide;N-[3-cyano-7-ethoxy-4-[3-(trifluoromethyl)anilino]quinolin-6-yl]acetamide (CID 157191837) is N-[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]-3-cyano-7-ethoxyquinolin-6-yl]-2-cyclohexylacetamide;N-[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]-3-cyano-7-ethoxyquinolin-6-yl]-5-methylhexanamide;N-[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]-3-cyano-7-ethoxyquinolin-6-yl]-4-piperidin-1-ylbutanamide;N-[3-cyano-7-ethoxy-4-(3-methoxyanilino)quinolin-6-yl]acetamide;N-[3-cyano-7-ethoxy-4-(3-methylanilino)quinolin-6-yl]acetamide;N-[3-cyano-7-ethoxy-4-(3-methylsulfonylanilino)quinolin-6-yl]acetamide;N-[3-cyano-7-ethoxy-4-(3-phenylanilino)quinolin-6-yl]acetamide;N-[3-cyano-7-ethoxy-4-[3-(trifluoromethoxy)anilino]quinolin-6-yl]acetamide;N-[3-cyano-7-ethoxy-4-[3-(trifluoromethyl)anilino]quinolin-6-yl]acetamide.
What is the SMILES notation for N-[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]-3-cyano-7-ethoxyquinolin-6-yl]-2-cyclohexylacetamide;N-[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]-3-cyano-7-ethoxyquinolin-6-yl]-5-methylhexanamide;N-[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]-3-cyano-7-ethoxyquinolin-6-yl]-4-piperidin-1-ylbutanamide;N-[3-cyano-7-ethoxy-4-(3-methoxyanilino)quinolin-6-yl]acetamide;N-[3-cyano-7-ethoxy-4-(3-methylanilino)quinolin-6-yl]acetamide;N-[3-cyano-7-ethoxy-4-(3-methylsulfonylanilino)quinolin-6-yl]acetamide;N-[3-cyano-7-ethoxy-4-(3-phenylanilino)quinolin-6-yl]acetamide;N-[3-cyano-7-ethoxy-4-[3-(trifluoromethoxy)anilino]quinolin-6-yl]acetamide;N-[3-cyano-7-ethoxy-4-[3-(trifluoromethyl)anilino]quinolin-6-yl]acetamide?
The canonical SMILES for N-[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]-3-cyano-7-ethoxyquinolin-6-yl]-2-cyclohexylacetamide;N-[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]-3-cyano-7-ethoxyquinolin-6-yl]-5-methylhexanamide;N-[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]-3-cyano-7-ethoxyquinolin-6-yl]-4-piperidin-1-ylbutanamide;N-[3-cyano-7-ethoxy-4-(3-methoxyanilino)quinolin-6-yl]acetamide;N-[3-cyano-7-ethoxy-4-(3-methylanilino)quinolin-6-yl]acetamide;N-[3-cyano-7-ethoxy-4-(3-methylsulfonylanilino)quinolin-6-yl]acetamide;N-[3-cyano-7-ethoxy-4-(3-phenylanilino)quinolin-6-yl]acetamide;N-[3-cyano-7-ethoxy-4-[3-(trifluoromethoxy)anilino]quinolin-6-yl]acetamide;N-[3-cyano-7-ethoxy-4-[3-(trifluoromethyl)anilino]quinolin-6-yl]acetamide is CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccccn4)c(Cl)c3)c2cc1NC(=O)CC1CCCCC1.CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccccn4)c(Cl)c3)c2cc1NC(=O)CCCC(C)C.CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccccn4)c(Cl)c3)c2cc1NC(=O)CCCN1CCCCC1.CCOc1cc2ncc(C#N)c(Nc3cccc(-c4ccccc4)c3)c2cc1NC(C)=O.CCOc1cc2ncc(C#N)c(Nc3cccc(C(F)(F)F)c3)c2cc1NC(C)=O.CCOc1cc2ncc(C#N)c(Nc3cccc(C)c3)c2cc1NC(C)=O.CCOc1cc2ncc(C#N)c(Nc3cccc(OC(F)(F)F)c3)c2cc1NC(C)=O.CCOc1cc2ncc(C#N)c(Nc3cccc(OC)c3)c2cc1NC(C)=O.CCOc1cc2ncc(C#N)c(Nc3cccc(S(C)(=O)=O)c3)c2cc1NC(C)=O.
What is the InChIKey of N-[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]-3-cyano-7-ethoxyquinolin-6-yl]-2-cyclohexylacetamide;N-[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]-3-cyano-7-ethoxyquinolin-6-yl]-5-methylhexanamide;N-[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]-3-cyano-7-ethoxyquinolin-6-yl]-4-piperidin-1-ylbutanamide;N-[3-cyano-7-ethoxy-4-(3-methoxyanilino)quinolin-6-yl]acetamide;N-[3-cyano-7-ethoxy-4-(3-methylanilino)quinolin-6-yl]acetamide;N-[3-cyano-7-ethoxy-4-(3-methylsulfonylanilino)quinolin-6-yl]acetamide;N-[3-cyano-7-ethoxy-4-(3-phenylanilino)quinolin-6-yl]acetamide;N-[3-cyano-7-ethoxy-4-[3-(trifluoromethoxy)anilino]quinolin-6-yl]acetamide;N-[3-cyano-7-ethoxy-4-[3-(trifluoromethyl)anilino]quinolin-6-yl]acetamide?
The InChIKey is APUCIRHIJUEUKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H35ClN6O3.C32H32ClN5O3.C31H32ClN5O3.C26H22N4O2.C21H17F3N4O3.C21H17F3N4O2.C21H20N4O4S.C21H20N4O3.C21H20N4O2/c1-2-42-31-19-28-26(18-29(31)39-32(41)10-8-16-40-14-6-3-7-15-40)33(23(20-35)21-37-28)38-24-11-12-30(27(34)17-24)43-22-25-9-4-5-13-36-25;1-2-40-30-17-27-25(16-28(30)38-31(39)14-21-8-4-3-5-9-21)32(22(18-34)19-36-27)37-23-11-12-29(26(33)15-23)41-20-24-10-6-7-13-35-24;1-4-39-29-16-26-24(15-27(29)37-30(38)10-7-8-20(2)3)31(21(17-33)18-35-26)36-22-11-12-28(25(32)14-22)40-19-23-9-5-6-13-34-23;1-3-32-25-14-23-22(13-24(25)29-17(2)31)26(20(15-27)16-28-23)30-21-11-7-10-19(12-21)18-8-5-4-6-9-18;1-3-30-19-9-17-16(8-18(19)27-12(2)29)20(13(10-25)11-26-17)28-14-5-4-6-15(7-14)31-21(22,23)24;1-3-30-19-9-17-16(8-18(19)27-12(2)29)20(13(10-25)11-26-17)28-15-6-4-5-14(7-15)21(22,23)24;1-4-29-20-10-18-17(9-19(20)24-13(2)26)21(14(11-22)12-23-18)25-15-6-5-7-16(8-15)30(3,27)28;1-4-28-20-10-18-17(9-19(20)24-13(2)26)21(14(11-22)12-23-18)25-15-6-5-7-16(8-15)27-3;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/h4-5,9,11-13,17-19,21H,2-3,6-8,10,14-16,22H2,1H3,(H,37,38)(H,39,41);6-7,10-13,15-17,19,21H,2-5,8-9,14,20H2,1H3,(H,36,37)(H,38,39);5-6,9,11-16,18,20H,4,7-8,10,19H2,1-3H3,(H,35,36)(H,37,38);4-14,16H,3H2,1-2H3,(H,28,30)(H,29,31);4-9,11H,3H2,1-2H3,(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);5-10,12H,4H2,1-3H3,(H,23,25)(H,24,26).
What are the key properties of N-[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]-3-cyano-7-ethoxyquinolin-6-yl]-2-cyclohexylacetamide;N-[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]-3-cyano-7-ethoxyquinolin-6-yl]-5-methylhexanamide;N-[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]-3-cyano-7-ethoxyquinolin-6-yl]-4-piperidin-1-ylbutanamide;N-[3-cyano-7-ethoxy-4-(3-methoxyanilino)quinolin-6-yl]acetamide;N-[3-cyano-7-ethoxy-4-(3-methylanilino)quinolin-6-yl]acetamide;N-[3-cyano-7-ethoxy-4-(3-methylsulfonylanilino)quinolin-6-yl]acetamide;N-[3-cyano-7-ethoxy-4-(3-phenylanilino)quinolin-6-yl]acetamide;N-[3-cyano-7-ethoxy-4-[3-(trifluoromethoxy)anilino]quinolin-6-yl]acetamide;N-[3-cyano-7-ethoxy-4-[3-(trifluoromethyl)anilino]quinolin-6-yl]acetamide?
N-[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]-3-cyano-7-ethoxyquinolin-6-yl]-2-cyclohexylacetamide;N-[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]-3-cyano-7-ethoxyquinolin-6-yl]-5-methylhexanamide;N-[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]-3-cyano-7-ethoxyquinolin-6-yl]-4-piperidin-1-ylbutanamide;N-[3-cyano-7-ethoxy-4-(3-methoxyanilino)quinolin-6-yl]acetamide;N-[3-cyano-7-ethoxy-4-(3-methylanilino)quinolin-6-yl]acetamide;N-[3-cyano-7-ethoxy-4-(3-methylsulfonylanilino)quinolin-6-yl]acetamide;N-[3-cyano-7-ethoxy-4-(3-phenylanilino)quinolin-6-yl]acetamide;N-[3-cyano-7-ethoxy-4-[3-(trifluoromethoxy)anilino]quinolin-6-yl]acetamide;N-[3-cyano-7-ethoxy-4-[3-(trifluoromethyl)anilino]quinolin-6-yl]acetamide has a molecular weight of 4155.89 g/mol, XLogP of 51.05, 68 rotatable bonds, 18 hydrogen bond donors, and 56 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]-3-cyano-7-ethoxyquinolin-6-yl]-2-cyclohexylacetamide;N-[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]-3-cyano-7-ethoxyquinolin-6-yl]-5-methylhexanamide;N-[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]-3-cyano-7-ethoxyquinolin-6-yl]-4-piperidin-1-ylbutanamide;N-[3-cyano-7-ethoxy-4-(3-methoxyanilino)quinolin-6-yl]acetamide;N-[3-cyano-7-ethoxy-4-(3-methylanilino)quinolin-6-yl]acetamide;N-[3-cyano-7-ethoxy-4-(3-methylsulfonylanilino)quinolin-6-yl]acetamide;N-[3-cyano-7-ethoxy-4-(3-phenylanilino)quinolin-6-yl]acetamide;N-[3-cyano-7-ethoxy-4-[3-(trifluoromethoxy)anilino]quinolin-6-yl]acetamide;N-[3-cyano-7-ethoxy-4-[3-(trifluoromethyl)anilino]quinolin-6-yl]acetamide is sourced from PubChem (CID 157191837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).