(E)-4-(dimethylamino)-1-[4-[2-[5-(6-methoxy-7-methylquinolin-4-yl)oxynaphthalen-1-yl]-2-oxoethyl]-2-(trifluoromethyl)phenyl]but-2-en-1-one;2-[hydroxy-[4-[2-[5-(6-methoxy-7-methylquinolin-4-yl)oxynaphthalen-1-yl]-2-oxoethyl]-2-(trifluoromethyl)phenyl]methyl]-N,N-dimethylprop-2-enamide;(E)-1-[4-[2-[5-(6-methoxy-7-methylquinolin-4-yl)oxynaphthalen-1-yl]-2-oxoethyl]-2-(trifluoromethyl)phenoxy]pent-3-en-2-one;1-[4-[2-[5-(6-methoxy-7-methylquinolin-4-yl)oxynaphthalen-1-yl]-2-oxoethyl]-2-(trifluoromethyl)phenyl]-4-methylpent-3-en-2-one;N-[4-[2-[5-(6-methoxy-7-methylquinolin-4-yl)oxynaphthalen-1-yl]-2-oxoethyl]-2-(trifluoromethyl)phenyl]-2-(pyrazol-1-ylmethyl)prop-2-enamide

C180H149F15N10O22 — CID 162147464

IUPAC(E)-4-(dimethylamino)-1-[4-[2-[5-(6-methoxy-7-methylquinolin-4-yl)oxynaphthalen-1-yl]-2-oxoethyl]-2-(trifluoromethyl)phenyl]but-2-en-1-one;2-[hydroxy-[4-[2-[5-(6-methoxy-7-methylquinolin-4-yl)oxynaphthalen-1-yl]-2-oxoethyl]-2-(trifluoromethyl)phenyl]methyl]-N,N-dimethylprop-2-enamide;(E)-1-[4-[2-[5-(6-methoxy-7-methylquinolin-4-yl)oxynaphthalen-1-yl]-2-oxoethyl]-2-(trifluoromethyl)phenoxy]pent-3-en-2-one;1-[4-[2-[5-(6-methoxy-7-methylquinolin-4-yl)oxynaphthalen-1-yl]-2-oxoethyl]-2-(trifluoromethyl)phenyl]-4-methylpent-3-en-2-one;N-[4-[2-[5-(6-methoxy-7-methylquinolin-4-yl)oxynaphthalen-1-yl]-2-oxoethyl]-2-(trifluoromethyl)phenyl]-2-(pyrazol-1-ylmethyl)prop-2-enamide
SMILESC/C=C/C(=O)COc1ccc(CC(=O)c2cccc3c(Oc4ccnc5cc(C)c(OC)cc45)cccc23)cc1C(F)(F)F.C=C(C(=O)N(C)C)C(O)c1ccc(CC(=O)c2cccc3c(Oc4ccnc5cc(C)c(OC)cc45)cccc23)cc1C(F)(F)F.C=C(Cn1cccn1)C(=O)Nc1ccc(CC(=O)c2cccc3c(Oc4ccnc5cc(C)c(OC)cc45)cccc23)cc1C(F)(F)F.COc1cc2c(Oc3cccc4c(C(=O)Cc5ccc(C(=O)/C=C/CN(C)C)c(C(F)(F)F)c5)cccc34)ccnc2cc1C.COc1cc2c(Oc3cccc4c(C(=O)Cc5ccc(CC(=O)C=C(C)C)c(C(F)(F)F)c5)cccc34)ccnc2cc1C
InChIInChI=1S/C37H29F3N4O4.C36H31F3N2O5.C36H31F3N2O4.C36H30F3NO4.C35H28F3NO5/c1-22-17-31-28(20-35(22)47-3)34(13-15-41-31)48-33-10-5-7-25-26(8-4-9-27(25)33)32(45)19-24-11-12-30(29(18-24)37(38,39)40)43-36(46)23(2)21-44-16-6-14-42-44;1-20-16-29-27(19-33(20)45-5)32(14-15-40-29)46-31-11-7-8-23-24(9-6-10-25(23)31)30(42)18-22-12-13-26(28(17-22)36(37,38)39)34(43)21(2)35(44)41(3)4;1-22-18-30-28(21-35(22)44-4)34(15-16-40-30)45-33-12-6-8-24-25(9-5-10-26(24)33)32(43)20-23-13-14-27(29(19-23)36(37,38)39)31(42)11-7-17-41(2)3;1-21(2)15-25(41)19-24-12-11-23(17-30(24)36(37,38)39)18-32(42)27-8-5-9-28-26(27)7-6-10-33(28)44-34-13-14-40-31-16-22(3)35(43-4)20-29(31)34;1-4-7-23(40)20-43-33-13-12-22(17-28(33)35(36,37)38)18-30(41)25-9-5-10-26-24(25)8-6-11-31(26)44-32-14-15-39-29-16-21(2)34(42-3)19-27(29)32/h4-18,20H,2,19,21H2,1,3H3,(H,43,46);6-17,19,34,43H,2,18H2,1,3-5H3;5-16,18-19,21H,17,20H2,1-4H3;5-17,20H,18-19H2,1-4H3;4-17,19H,18,20H2,1-3H3/b;;11-7+;;7-4+
InChIKeyZKTHDLWWNDVHOH-SHZCKCIMSA-N
MW3089.19 g/mol
LogP41.68
Rot. Bonds48

About (E)-4-(dimethylamino)-1-[4-[2-[5-(6-methoxy-7-methylquinolin-4-yl)oxynaphthalen-1-yl]-2-oxoethyl]-2-(trifluoromethyl)phenyl]but-2-en-1-one;2-[hydroxy-[4-[2-[5-(6-methoxy-7-methylquinolin-4-yl)oxynaphthalen-1-yl]-2-oxoethyl]-2-(trifluoromethyl)phenyl]methyl]-N,N-dimethylprop-2-enamide;(E)-1-[4-[2-[5-(6-methoxy-7-methylquinolin-4-yl)oxynaphthalen-1-yl]-2-oxoethyl]-2-(trifluoromethyl)phenoxy]pent-3-en-2-one;1-[4-[2-[5-(6-methoxy-7-methylquinolin-4-yl)oxynaphthalen-1-yl]-2-oxoethyl]-2-(trifluoromethyl)phenyl]-4-methylpent-3-en-2-one;N-[4-[2-[5-(6-methoxy-7-methylquinolin-4-yl)oxynaphthalen-1-yl]-2-oxoethyl]-2-(trifluoromethyl)phenyl]-2-(pyrazol-1-ylmethyl)prop-2-enamide

(E)-4-(dimethylamino)-1-[4-[2-[5-(6-methoxy-7-methylquinolin-4-yl)oxynaphthalen-1-yl]-2-oxoethyl]-2-(trifluoromethyl)phenyl]but-2-en-1-one;2-[hydroxy-[4-[2-[5-(6-methoxy-7-methylquinolin-4-yl)oxynaphthalen-1-yl]-2-oxoethyl]-2-(trifluoromethyl)phenyl]methyl]-N,N-dimethylprop-2-enamide;(E)-1-[4-[2-[5-(6-methoxy-7-methylquinolin-4-yl)oxynaphthalen-1-yl]-2-oxoethyl]-2-(trifluoromethyl)phenoxy]pent-3-en-2-one;1-[4-[2-[5-(6-methoxy-7-methylquinolin-4-yl)oxynaphthalen-1-yl]-2-oxoethyl]-2-(trifluoromethyl)phenyl]-4-methylpent-3-en-2-one;N-[4-[2-[5-(6-methoxy-7-methylquinolin-4-yl)oxynaphthalen-1-yl]-2-oxoethyl]-2-(trifluoromethyl)phenyl]-2-(pyrazol-1-ylmethyl)prop-2-enamide (PubChem CID 162147464) has the molecular formula C180H149F15N10O22 and a molecular weight of 3089.19 g/mol. Its IUPAC name is (E)-4-(dimethylamino)-1-[4-[2-[5-(6-methoxy-7-methylquinolin-4-yl)oxynaphthalen-1-yl]-2-oxoethyl]-2-(trifluoromethyl)phenyl]but-2-en-1-one;2-[hydroxy-[4-[2-[5-(6-methoxy-7-methylquinolin-4-yl)oxynaphthalen-1-yl]-2-oxoethyl]-2-(trifluoromethyl)phenyl]methyl]-N,N-dimethylprop-2-enamide;(E)-1-[4-[2-[5-(6-methoxy-7-methylquinolin-4-yl)oxynaphthalen-1-yl]-2-oxoethyl]-2-(trifluoromethyl)phenoxy]pent-3-en-2-one;1-[4-[2-[5-(6-methoxy-7-methylquinolin-4-yl)oxynaphthalen-1-yl]-2-oxoethyl]-2-(trifluoromethyl)phenyl]-4-methylpent-3-en-2-one;N-[4-[2-[5-(6-methoxy-7-methylquinolin-4-yl)oxynaphthalen-1-yl]-2-oxoethyl]-2-(trifluoromethyl)phenyl]-2-(pyrazol-1-ylmethyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-4-(dimethylamino)-1-[4-[2-[5-(6-methoxy-7-methylquinolin-4-yl)oxynaphthalen-1-yl]-2-oxoethyl]-2-(trifluoromethyl)phenyl]but-2-en-1-one;2-[hydroxy-[4-[2-[5-(6-methoxy-7-methylquinolin-4-yl)oxynaphthalen-1-yl]-2-oxoethyl]-2-(trifluoromethyl)phenyl]methyl]-N,N-dimethylprop-2-enamide;(E)-1-[4-[2-[5-(6-methoxy-7-methylquinolin-4-yl)oxynaphthalen-1-yl]-2-oxoethyl]-2-(trifluoromethyl)phenoxy]pent-3-en-2-one;1-[4-[2-[5-(6-methoxy-7-methylquinolin-4-yl)oxynaphthalen-1-yl]-2-oxoethyl]-2-(trifluoromethyl)phenyl]-4-methylpent-3-en-2-one;N-[4-[2-[5-(6-methoxy-7-methylquinolin-4-yl)oxynaphthalen-1-yl]-2-oxoethyl]-2-(trifluoromethyl)phenyl]-2-(pyrazol-1-ylmethyl)prop-2-enamide
PubChem CID162147464
Molecular FormulaC180H149F15N10O22
Molecular Weight3089.19 g/mol
Exact Mass3087.06
IUPAC Name(E)-4-(dimethylamino)-1-[4-[2-[5-(6-methoxy-7-methylquinolin-4-yl)oxynaphthalen-1-yl]-2-oxoethyl]-2-(trifluoromethyl)phenyl]but-2-en-1-one;2-[hydroxy-[4-[2-[5-(6-methoxy-7-methylquinolin-4-yl)oxynaphthalen-1-yl]-2-oxoethyl]-2-(trifluoromethyl)phenyl]methyl]-N,N-dimethylprop-2-enamide;(E)-1-[4-[2-[5-(6-methoxy-7-methylquinolin-4-yl)oxynaphthalen-1-yl]-2-oxoethyl]-2-(trifluoromethyl)phenoxy]pent-3-en-2-one;1-[4-[2-[5-(6-methoxy-7-methylquinolin-4-yl)oxynaphthalen-1-yl]-2-oxoethyl]-2-(trifluoromethyl)phenyl]-4-methylpent-3-en-2-one;N-[4-[2-[5-(6-methoxy-7-methylquinolin-4-yl)oxynaphthalen-1-yl]-2-oxoethyl]-2-(trifluoromethyl)phenyl]-2-(pyrazol-1-ylmethyl)prop-2-enamide
SMILESC/C=C/C(=O)COc1ccc(CC(=O)c2cccc3c(Oc4ccnc5cc(C)c(OC)cc45)cccc23)cc1C(F)(F)F.C=C(C(=O)N(C)C)C(O)c1ccc(CC(=O)c2cccc3c(Oc4ccnc5cc(C)c(OC)cc45)cccc23)cc1C(F)(F)F.C=C(Cn1cccn1)C(=O)Nc1ccc(CC(=O)c2cccc3c(Oc4ccnc5cc(C)c(OC)cc45)cccc23)cc1C(F)(F)F.COc1cc2c(Oc3cccc4c(C(=O)Cc5ccc(C(=O)/C=C/CN(C)C)c(C(F)(F)F)c5)cccc34)ccnc2cc1C.COc1cc2c(Oc3cccc4c(C(=O)Cc5ccc(CC(=O)C=C(C)C)c(C(F)(F)F)c5)cccc34)ccnc2cc1C
InChIInChI=1S/C37H29F3N4O4.C36H31F3N2O5.C36H31F3N2O4.C36H30F3NO4.C35H28F3NO5/c1-22-17-31-28(20-35(22)47-3)34(13-15-41-31)48-33-10-5-7-25-26(8-4-9-27(25)33)32(45)19-24-11-12-30(29(18-24)37(38,39)40)43-36(46)23(2)21-44-16-6-14-42-44;1-20-16-29-27(19-33(20)45-5)32(14-15-40-29)46-31-11-7-8-23-24(9-6-10-25(23)31)30(42)18-22-12-13-26(28(17-22)36(37,38)39)34(43)21(2)35(44)41(3)4;1-22-18-30-28(21-35(22)44-4)34(15-16-40-30)45-33-12-6-8-24-25(9-5-10-26(24)33)32(43)20-23-13-14-27(29(19-23)36(37,38)39)31(42)11-7-17-41(2)3;1-21(2)15-25(41)19-24-12-11-23(17-30(24)36(37,38)39)18-32(42)27-8-5-9-28-26(27)7-6-10-33(28)44-34-13-14-40-31-16-22(3)35(43-4)20-29(31)34;1-4-7-23(40)20-43-33-13-12-22(17-28(33)35(36,37)38)18-30(41)25-9-5-10-26-24(25)8-6-11-31(26)44-32-14-15-39-29-16-21(2)34(42-3)19-27(29)32/h4-18,20H,2,19,21H2,1,3H3,(H,43,46);6-17,19,34,43H,2,18H2,1,3-5H3;5-16,18-19,21H,17,20H2,1-4H3;5-17,20H,18-19H2,1-4H3;4-17,19H,18,20H2,1-3H3/b;;11-7+;;7-4+
InChIKeyZKTHDLWWNDVHOH-SHZCKCIMSA-N
XLogP41.68
TPSA393.24 Ų
H-Bond Donors2
H-Bond Acceptors30
Rotatable Bonds48
Heavy Atoms227
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003089.19
LogP ≤ 541.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1030

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (E)-4-(dimethylamino)-1-[4-[2-[5-(6-methoxy-7-methylquinolin-4-yl)oxynaphthalen-1-yl]-2-oxoethyl]-2-(trifluoromethyl)phenyl]but-2-en-1-one;2-[hydroxy-[4-[2-[5-(6-methoxy-7-methylquinolin-4-yl)oxynaphthalen-1-yl]-2-oxoethyl]-2-(trifluoromethyl)phenyl]methyl]-N,N-dimethylprop-2-enamide;(E)-1-[4-[2-[5-(6-methoxy-7-methylquinolin-4-yl)oxynaphthalen-1-yl]-2-oxoethyl]-2-(trifluoromethyl)phenoxy]pent-3-en-2-one;1-[4-[2-[5-(6-methoxy-7-methylquinolin-4-yl)oxynaphthalen-1-yl]-2-oxoethyl]-2-(trifluoromethyl)phenyl]-4-methylpent-3-en-2-one;N-[4-[2-[5-(6-methoxy-7-methylquinolin-4-yl)oxynaphthalen-1-yl]-2-oxoethyl]-2-(trifluoromethyl)phenyl]-2-(pyrazol-1-ylmethyl)prop-2-enamide with MolForge

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Related Compounds

N-[4-[2-[5-(6-methoxy-7-methylquinolin-4-yl)oxynaphthalen-1-yl]-2-oxoethyl]-2-(trifluoromethyl)phenyl]-2-(pyrazol-1-ylmethyl)prop-2-enamide
CID 58263555
1-[4-[2-[5-(6-methoxy-7-methylquinolin-4-yl)oxynaphthalen-1-yl]-2-oxoethyl]-2-(trifluoromethyl)phenyl]-4-methylpent-3-en-2-one;N-[4-[2-[5-(6-methoxy-7-methylquinolin-4-yl)oxynaphthalen-1-yl]-2-oxoethyl]-2-(trifluoromethyl)phenyl]-2-(pyrazol-1-ylmethyl)prop-2-enamide
CID 123554016
3-[2-[6-(aminomethyl)-3-pyridinyl]ethynyl]-4-methyl-N-[4-(piperazin-1-ylmethyl)-3-(trifluoromethyl)phenyl]benzamide;3-(2-cinnolin-4-ylethynyl)-N-[4-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-3-(trifluoromethyl)phenyl]-4-methylbenzamide;4-methyl-N-[4-(1-methylpiperidin-4-yl)oxy-3-(trifluoromethyl)phenyl]-3-[2-(6-pyrrolidin-2-yl-3-pyridinyl)ethynyl]benzamide
CID 157404220
2-chloro-N-[4-[2-[5-(6-methoxy-7-methylquinolin-4-yl)oxynaphthalen-1-yl]-2-oxoethyl]-2-(trifluoromethyl)phenyl]acetamide;1-[4-[2-[5-(6-methoxy-7-methylquinolin-4-yl)oxynaphthalen-1-yl]-2-oxoethyl]-2-(trifluoromethyl)phenyl]-3-methylbut-2-en-1-one;1-[4-[2-[5-(6-methoxy-7-methylquinolin-4-yl)oxynaphthalen-1-yl]-2-oxoethyl]-2-(trifluoromethyl)phenyl]-4-methylpent-3-en-2-one;5-[4-[2-[5-(6-methoxy-7-methylquinolin-4-yl)oxynaphthalen-1-yl]-2-oxoethyl]-2-(trifluoromethyl)phenyl]pent-1-en-3-one;N-[4-[2-[5-(6-methoxy-7-methylquinolin-4-yl)oxynaphthalen-1-yl]-2-oxoethyl]-2-(trifluoromethyl)phenyl]prop-2-enamide;N-[5-[2-[5-(6-methoxy-7-methylquinolin-4-yl)oxynaphthalen-1-yl]-2-oxoethyl]-2-(trifluoromethyl)phenyl]prop-2-enamide;N-[4-[2-[5-(6-methoxy-7-methylquinolin-4-yl)oxynaphthalen-1-yl]-2-oxoethyl]-2-(trifluoromethyl)phenyl]-2-(pyrazol-1-ylmethyl)prop-2-enamide
CID 157898290
(E)-4-(dimethylamino)-1-[4-[2-[5-(6-methoxy-7-methylquinolin-4-yl)oxynaphthalen-1-yl]-2-oxoethyl]-2-(trifluoromethyl)phenyl]but-2-en-1-one;2-fluoro-N-[4-[2-[5-(6-methoxy-7-methylquinolin-4-yl)oxynaphthalen-1-yl]-2-oxoethyl]-2-(trifluoromethyl)phenyl]pyridine-3-carboxamide;(E)-1-[4-[2-[5-(6-methoxy-7-methylquinolin-4-yl)oxynaphthalen-1-yl]-2-oxoethyl]-2-(trifluoromethyl)phenoxy]pent-3-en-2-one;N-[4-[2-[5-(6-methoxy-7-methylquinolin-4-yl)oxynaphthalen-1-yl]-2-oxoethyl]-2-(trifluoromethyl)phenyl]dithiolane-3-carboxamide
CID 158236222
1-[[3-(difluoromethyl)phenyl]methyl]-7-methyl-6-[(1S)-1-[(2-methylpropan-2-yl)oxy]-2-oxopropyl]-5-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)quinolin-2-one;7-methyl-1-[(1-methylindazol-5-yl)methyl]-6-[(1S)-1-[(2-methylpropan-2-yl)oxy]-2-oxopropyl]-5-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)quinolin-2-one;7-methyl-6-[(1S)-1-[(2-methylpropan-2-yl)oxy]-2-oxopropyl]-5-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)-1-[[5-(trifluoromethyl)-3-pyridinyl]methyl]quinolin-2-one
CID 158604533
4-[5-[2-[4-[1-hydroxy-2-(morpholine-4-carbonyl)prop-2-enyl]-3-(trifluoromethyl)phenyl]acetyl]naphthalen-1-yl]oxy-N-methylpyridine-2-carboxamide;N-methyl-4-[5-[2-[4-(4-methyl-2-oxopent-3-enyl)-3-(trifluoromethyl)phenyl]acetyl]naphthalen-1-yl]oxypyridine-2-carboxamide;N-methyl-4-[5-[2-[4-(3-oxopent-4-enyl)-3-(trifluoromethyl)phenyl]acetyl]naphthalen-1-yl]oxypyridine-2-carboxamide;N-methyl-4-[5-[2-[4-[2-(pyrazol-1-ylmethyl)prop-2-enoylamino]-3-(trifluoromethyl)phenyl]acetyl]naphthalen-1-yl]oxypyridine-2-carboxamide
CID 159396644
1-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-7-methyl-6-[(1S)-1-[(2-methylpropan-2-yl)oxy]-2-oxopropyl]-5-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)quinolin-2-one;7-methyl-1-[(1-methylindazol-4-yl)methyl]-6-[(1S)-1-[(2-methylpropan-2-yl)oxy]-2-oxopropyl]-5-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)quinolin-2-one;7-methyl-1-[(1-methylindazol-5-yl)methyl]-6-[(1S)-1-[(2-methylpropan-2-yl)oxy]-2-oxopropyl]-5-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)quinolin-2-one
CID 159672440
1-[[3-Fluoro-5-(trifluoromethyl)phenyl]methyl]-7-methyl-6-[1-[(2-methylpropan-2-yl)oxy]-2-oxopropyl]-5-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)quinolin-2-one;7-methyl-1-[(1-methylindazol-4-yl)methyl]-6-[1-[(2-methylpropan-2-yl)oxy]-2-oxopropyl]-5-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)quinolin-2-one;7-methyl-1-[(1-methylindazol-5-yl)methyl]-6-[1-[(2-methylpropan-2-yl)oxy]-2-oxopropyl]-5-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)quinolin-2-one
CID 159672441
5-tert-butyl-2-(1,1-difluoroethyl)-6-methylquinoline;5-tert-butyl-1-(2,2-difluoropropyl)-6-methyl-3,4-dihydroquinolin-2-one;5-tert-butyl-6-methyl-2-methylidene-3,4-dihydro-1H-quinoline;5-tert-butyl-1-methyl-4-phenylpyrazole;5-tert-butyl-6-methylquinoline;5-tert-butyl-6-(2,2,2-trifluoroethoxy)quinoline;ethane
CID 159837209
2-chloro-N-[4-[2-[5-(6-methoxy-7-methylquinolin-4-yl)oxynaphthalen-1-yl]-2-oxoethyl]-2-(trifluoromethyl)phenyl]acetamide;1-[4-[2-[5-(6-methoxy-7-methylquinolin-4-yl)oxynaphthalen-1-yl]-2-oxoethyl]-2-(trifluoromethyl)phenyl]-3-methylbut-2-en-1-one;5-[4-[2-[5-(6-methoxy-7-methylquinolin-4-yl)oxynaphthalen-1-yl]-2-oxoethyl]-2-(trifluoromethyl)phenyl]pent-1-en-3-one;N-[4-[2-[5-(6-methoxy-7-methylquinolin-4-yl)oxynaphthalen-1-yl]-2-oxoethyl]-2-(trifluoromethyl)phenyl]prop-2-enamide;N-[5-[2-[5-(6-methoxy-7-methylquinolin-4-yl)oxynaphthalen-1-yl]-2-oxoethyl]-2-(trifluoromethyl)phenyl]prop-2-enamide
CID 159946892
1-[[3-(difluoromethyl)phenyl]methyl]-7-methyl-6-[(1S)-1-[(2-methylpropan-2-yl)oxy]-2-oxopropyl]-5-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)quinolin-2-one;1-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-7-methyl-6-[(1S)-1-[(2-methylpropan-2-yl)oxy]-2-oxopropyl]-5-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)quinolin-2-one;7-methyl-1-[(1-methylindazol-4-yl)methyl]-6-[(1S)-1-[(2-methylpropan-2-yl)oxy]-2-oxopropyl]-5-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)quinolin-2-one;7-methyl-1-[(1-methylindazol-5-yl)methyl]-6-[(1S)-1-[(2-methylpropan-2-yl)oxy]-2-oxopropyl]-5-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)quinolin-2-one
CID 160152527

Frequently Asked Questions

What is the IUPAC name of (E)-4-(dimethylamino)-1-[4-[2-[5-(6-methoxy-7-methylquinolin-4-yl)oxynaphthalen-1-yl]-2-oxoethyl]-2-(trifluoromethyl)phenyl]but-2-en-1-one;2-[hydroxy-[4-[2-[5-(6-methoxy-7-methylquinolin-4-yl)oxynaphthalen-1-yl]-2-oxoethyl]-2-(trifluoromethyl)phenyl]methyl]-N,N-dimethylprop-2-enamide;(E)-1-[4-[2-[5-(6-methoxy-7-methylquinolin-4-yl)oxynaphthalen-1-yl]-2-oxoethyl]-2-(trifluoromethyl)phenoxy]pent-3-en-2-one;1-[4-[2-[5-(6-methoxy-7-methylquinolin-4-yl)oxynaphthalen-1-yl]-2-oxoethyl]-2-(trifluoromethyl)phenyl]-4-methylpent-3-en-2-one;N-[4-[2-[5-(6-methoxy-7-methylquinolin-4-yl)oxynaphthalen-1-yl]-2-oxoethyl]-2-(trifluoromethyl)phenyl]-2-(pyrazol-1-ylmethyl)prop-2-enamide?
The IUPAC name of (E)-4-(dimethylamino)-1-[4-[2-[5-(6-methoxy-7-methylquinolin-4-yl)oxynaphthalen-1-yl]-2-oxoethyl]-2-(trifluoromethyl)phenyl]but-2-en-1-one;2-[hydroxy-[4-[2-[5-(6-methoxy-7-methylquinolin-4-yl)oxynaphthalen-1-yl]-2-oxoethyl]-2-(trifluoromethyl)phenyl]methyl]-N,N-dimethylprop-2-enamide;(E)-1-[4-[2-[5-(6-methoxy-7-methylquinolin-4-yl)oxynaphthalen-1-yl]-2-oxoethyl]-2-(trifluoromethyl)phenoxy]pent-3-en-2-one;1-[4-[2-[5-(6-methoxy-7-methylquinolin-4-yl)oxynaphthalen-1-yl]-2-oxoethyl]-2-(trifluoromethyl)phenyl]-4-methylpent-3-en-2-one;N-[4-[2-[5-(6-methoxy-7-methylquinolin-4-yl)oxynaphthalen-1-yl]-2-oxoethyl]-2-(trifluoromethyl)phenyl]-2-(pyrazol-1-ylmethyl)prop-2-enamide (CID 162147464) is (E)-4-(dimethylamino)-1-[4-[2-[5-(6-methoxy-7-methylquinolin-4-yl)oxynaphthalen-1-yl]-2-oxoethyl]-2-(trifluoromethyl)phenyl]but-2-en-1-one;2-[hydroxy-[4-[2-[5-(6-methoxy-7-methylquinolin-4-yl)oxynaphthalen-1-yl]-2-oxoethyl]-2-(trifluoromethyl)phenyl]methyl]-N,N-dimethylprop-2-enamide;(E)-1-[4-[2-[5-(6-methoxy-7-methylquinolin-4-yl)oxynaphthalen-1-yl]-2-oxoethyl]-2-(trifluoromethyl)phenoxy]pent-3-en-2-one;1-[4-[2-[5-(6-methoxy-7-methylquinolin-4-yl)oxynaphthalen-1-yl]-2-oxoethyl]-2-(trifluoromethyl)phenyl]-4-methylpent-3-en-2-one;N-[4-[2-[5-(6-methoxy-7-methylquinolin-4-yl)oxynaphthalen-1-yl]-2-oxoethyl]-2-(trifluoromethyl)phenyl]-2-(pyrazol-1-ylmethyl)prop-2-enamide.
What is the SMILES notation for (E)-4-(dimethylamino)-1-[4-[2-[5-(6-methoxy-7-methylquinolin-4-yl)oxynaphthalen-1-yl]-2-oxoethyl]-2-(trifluoromethyl)phenyl]but-2-en-1-one;2-[hydroxy-[4-[2-[5-(6-methoxy-7-methylquinolin-4-yl)oxynaphthalen-1-yl]-2-oxoethyl]-2-(trifluoromethyl)phenyl]methyl]-N,N-dimethylprop-2-enamide;(E)-1-[4-[2-[5-(6-methoxy-7-methylquinolin-4-yl)oxynaphthalen-1-yl]-2-oxoethyl]-2-(trifluoromethyl)phenoxy]pent-3-en-2-one;1-[4-[2-[5-(6-methoxy-7-methylquinolin-4-yl)oxynaphthalen-1-yl]-2-oxoethyl]-2-(trifluoromethyl)phenyl]-4-methylpent-3-en-2-one;N-[4-[2-[5-(6-methoxy-7-methylquinolin-4-yl)oxynaphthalen-1-yl]-2-oxoethyl]-2-(trifluoromethyl)phenyl]-2-(pyrazol-1-ylmethyl)prop-2-enamide?
The canonical SMILES for (E)-4-(dimethylamino)-1-[4-[2-[5-(6-methoxy-7-methylquinolin-4-yl)oxynaphthalen-1-yl]-2-oxoethyl]-2-(trifluoromethyl)phenyl]but-2-en-1-one;2-[hydroxy-[4-[2-[5-(6-methoxy-7-methylquinolin-4-yl)oxynaphthalen-1-yl]-2-oxoethyl]-2-(trifluoromethyl)phenyl]methyl]-N,N-dimethylprop-2-enamide;(E)-1-[4-[2-[5-(6-methoxy-7-methylquinolin-4-yl)oxynaphthalen-1-yl]-2-oxoethyl]-2-(trifluoromethyl)phenoxy]pent-3-en-2-one;1-[4-[2-[5-(6-methoxy-7-methylquinolin-4-yl)oxynaphthalen-1-yl]-2-oxoethyl]-2-(trifluoromethyl)phenyl]-4-methylpent-3-en-2-one;N-[4-[2-[5-(6-methoxy-7-methylquinolin-4-yl)oxynaphthalen-1-yl]-2-oxoethyl]-2-(trifluoromethyl)phenyl]-2-(pyrazol-1-ylmethyl)prop-2-enamide is C/C=C/C(=O)COc1ccc(CC(=O)c2cccc3c(Oc4ccnc5cc(C)c(OC)cc45)cccc23)cc1C(F)(F)F.C=C(C(=O)N(C)C)C(O)c1ccc(CC(=O)c2cccc3c(Oc4ccnc5cc(C)c(OC)cc45)cccc23)cc1C(F)(F)F.C=C(Cn1cccn1)C(=O)Nc1ccc(CC(=O)c2cccc3c(Oc4ccnc5cc(C)c(OC)cc45)cccc23)cc1C(F)(F)F.COc1cc2c(Oc3cccc4c(C(=O)Cc5ccc(C(=O)/C=C/CN(C)C)c(C(F)(F)F)c5)cccc34)ccnc2cc1C.COc1cc2c(Oc3cccc4c(C(=O)Cc5ccc(CC(=O)C=C(C)C)c(C(F)(F)F)c5)cccc34)ccnc2cc1C.
What is the InChIKey of (E)-4-(dimethylamino)-1-[4-[2-[5-(6-methoxy-7-methylquinolin-4-yl)oxynaphthalen-1-yl]-2-oxoethyl]-2-(trifluoromethyl)phenyl]but-2-en-1-one;2-[hydroxy-[4-[2-[5-(6-methoxy-7-methylquinolin-4-yl)oxynaphthalen-1-yl]-2-oxoethyl]-2-(trifluoromethyl)phenyl]methyl]-N,N-dimethylprop-2-enamide;(E)-1-[4-[2-[5-(6-methoxy-7-methylquinolin-4-yl)oxynaphthalen-1-yl]-2-oxoethyl]-2-(trifluoromethyl)phenoxy]pent-3-en-2-one;1-[4-[2-[5-(6-methoxy-7-methylquinolin-4-yl)oxynaphthalen-1-yl]-2-oxoethyl]-2-(trifluoromethyl)phenyl]-4-methylpent-3-en-2-one;N-[4-[2-[5-(6-methoxy-7-methylquinolin-4-yl)oxynaphthalen-1-yl]-2-oxoethyl]-2-(trifluoromethyl)phenyl]-2-(pyrazol-1-ylmethyl)prop-2-enamide?
The InChIKey is ZKTHDLWWNDVHOH-SHZCKCIMSA-N. The full InChI is InChI=1S/C37H29F3N4O4.C36H31F3N2O5.C36H31F3N2O4.C36H30F3NO4.C35H28F3NO5/c1-22-17-31-28(20-35(22)47-3)34(13-15-41-31)48-33-10-5-7-25-26(8-4-9-27(25)33)32(45)19-24-11-12-30(29(18-24)37(38,39)40)43-36(46)23(2)21-44-16-6-14-42-44;1-20-16-29-27(19-33(20)45-5)32(14-15-40-29)46-31-11-7-8-23-24(9-6-10-25(23)31)30(42)18-22-12-13-26(28(17-22)36(37,38)39)34(43)21(2)35(44)41(3)4;1-22-18-30-28(21-35(22)44-4)34(15-16-40-30)45-33-12-6-8-24-25(9-5-10-26(24)33)32(43)20-23-13-14-27(29(19-23)36(37,38)39)31(42)11-7-17-41(2)3;1-21(2)15-25(41)19-24-12-11-23(17-30(24)36(37,38)39)18-32(42)27-8-5-9-28-26(27)7-6-10-33(28)44-34-13-14-40-31-16-22(3)35(43-4)20-29(31)34;1-4-7-23(40)20-43-33-13-12-22(17-28(33)35(36,37)38)18-30(41)25-9-5-10-26-24(25)8-6-11-31(26)44-32-14-15-39-29-16-21(2)34(42-3)19-27(29)32/h4-18,20H,2,19,21H2,1,3H3,(H,43,46);6-17,19,34,43H,2,18H2,1,3-5H3;5-16,18-19,21H,17,20H2,1-4H3;5-17,20H,18-19H2,1-4H3;4-17,19H,18,20H2,1-3H3/b;;11-7+;;7-4+.
What are the key properties of (E)-4-(dimethylamino)-1-[4-[2-[5-(6-methoxy-7-methylquinolin-4-yl)oxynaphthalen-1-yl]-2-oxoethyl]-2-(trifluoromethyl)phenyl]but-2-en-1-one;2-[hydroxy-[4-[2-[5-(6-methoxy-7-methylquinolin-4-yl)oxynaphthalen-1-yl]-2-oxoethyl]-2-(trifluoromethyl)phenyl]methyl]-N,N-dimethylprop-2-enamide;(E)-1-[4-[2-[5-(6-methoxy-7-methylquinolin-4-yl)oxynaphthalen-1-yl]-2-oxoethyl]-2-(trifluoromethyl)phenoxy]pent-3-en-2-one;1-[4-[2-[5-(6-methoxy-7-methylquinolin-4-yl)oxynaphthalen-1-yl]-2-oxoethyl]-2-(trifluoromethyl)phenyl]-4-methylpent-3-en-2-one;N-[4-[2-[5-(6-methoxy-7-methylquinolin-4-yl)oxynaphthalen-1-yl]-2-oxoethyl]-2-(trifluoromethyl)phenyl]-2-(pyrazol-1-ylmethyl)prop-2-enamide?
(E)-4-(dimethylamino)-1-[4-[2-[5-(6-methoxy-7-methylquinolin-4-yl)oxynaphthalen-1-yl]-2-oxoethyl]-2-(trifluoromethyl)phenyl]but-2-en-1-one;2-[hydroxy-[4-[2-[5-(6-methoxy-7-methylquinolin-4-yl)oxynaphthalen-1-yl]-2-oxoethyl]-2-(trifluoromethyl)phenyl]methyl]-N,N-dimethylprop-2-enamide;(E)-1-[4-[2-[5-(6-methoxy-7-methylquinolin-4-yl)oxynaphthalen-1-yl]-2-oxoethyl]-2-(trifluoromethyl)phenoxy]pent-3-en-2-one;1-[4-[2-[5-(6-methoxy-7-methylquinolin-4-yl)oxynaphthalen-1-yl]-2-oxoethyl]-2-(trifluoromethyl)phenyl]-4-methylpent-3-en-2-one;N-[4-[2-[5-(6-methoxy-7-methylquinolin-4-yl)oxynaphthalen-1-yl]-2-oxoethyl]-2-(trifluoromethyl)phenyl]-2-(pyrazol-1-ylmethyl)prop-2-enamide has a molecular weight of 3089.19 g/mol, XLogP of 41.68, 48 rotatable bonds, 2 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-(dimethylamino)-1-[4-[2-[5-(6-methoxy-7-methylquinolin-4-yl)oxynaphthalen-1-yl]-2-oxoethyl]-2-(trifluoromethyl)phenyl]but-2-en-1-one;2-[hydroxy-[4-[2-[5-(6-methoxy-7-methylquinolin-4-yl)oxynaphthalen-1-yl]-2-oxoethyl]-2-(trifluoromethyl)phenyl]methyl]-N,N-dimethylprop-2-enamide;(E)-1-[4-[2-[5-(6-methoxy-7-methylquinolin-4-yl)oxynaphthalen-1-yl]-2-oxoethyl]-2-(trifluoromethyl)phenoxy]pent-3-en-2-one;1-[4-[2-[5-(6-methoxy-7-methylquinolin-4-yl)oxynaphthalen-1-yl]-2-oxoethyl]-2-(trifluoromethyl)phenyl]-4-methylpent-3-en-2-one;N-[4-[2-[5-(6-methoxy-7-methylquinolin-4-yl)oxynaphthalen-1-yl]-2-oxoethyl]-2-(trifluoromethyl)phenyl]-2-(pyrazol-1-ylmethyl)prop-2-enamide is sourced from PubChem (CID 162147464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).