N-(3-acetylquinolin-7-yl)-2-methyl-4-[(E)-3,3,3-trifluoroprop-1-enyl]benzamide;N-(3-tert-butylquinolin-7-yl)-2-methyl-4-[(E)-3,3,3-trifluoroprop-1-enyl]benzamide;N-(7-hydroxynaphthalen-1-yl)-2-methyl-4-[(E)-3,3,3-trifluoroprop-1-enyl]benzamide;N-[3-(1-hydroxypropyl)quinolin-7-yl]-2-methyl-4-[(E)-3,3,3-trifluoroprop-1-enyl]benzamide;N-(7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)-2-methyl-4-[(E)-3,3,3-trifluoroprop-1-enyl]benzamide;N-(8-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)-2-methyl-4-[(E)-3,3,3-trifluoroprop-1-enyl]benzamide;2-methyl-N-(3-propan-2-ylquinolin-7-yl)-4-[(E)-3,3,3-trifluoroprop-1-enyl]benzamide

C155H138F21N11O12 — CID 158463297

IUPACN-(3-acetylquinolin-7-yl)-2-methyl-4-[(E)-3,3,3-trifluoroprop-1-enyl]benzamide;N-(3-tert-butylquinolin-7-yl)-2-methyl-4-[(E)-3,3,3-trifluoroprop-1-enyl]benzamide;N-(7-hydroxynaphthalen-1-yl)-2-methyl-4-[(E)-3,3,3-trifluoroprop-1-enyl]benzamide;N-[3-(1-hydroxypropyl)quinolin-7-yl]-2-methyl-4-[(E)-3,3,3-trifluoroprop-1-enyl]benzamide;N-(7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)-2-methyl-4-[(E)-3,3,3-trifluoroprop-1-enyl]benzamide;N-(8-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)-2-methyl-4-[(E)-3,3,3-trifluoroprop-1-enyl]benzamide;2-methyl-N-(3-propan-2-ylquinolin-7-yl)-4-[(E)-3,3,3-trifluoroprop-1-enyl]benzamide
SMILESCC(=O)c1cnc2cc(NC(=O)c3ccc(/C=C/C(F)(F)F)cc3C)ccc2c1.CCC(O)c1cnc2cc(NC(=O)c3ccc(/C=C/C(F)(F)F)cc3C)ccc2c1.Cc1cc(/C=C/C(F)(F)F)ccc1C(=O)Nc1ccc2c(c1)C(O)CCC2.Cc1cc(/C=C/C(F)(F)F)ccc1C(=O)Nc1ccc2cc(C(C)(C)C)cnc2c1.Cc1cc(/C=C/C(F)(F)F)ccc1C(=O)Nc1ccc2cc(C(C)C)cnc2c1.Cc1cc(/C=C/C(F)(F)F)ccc1C(=O)Nc1cccc2c1CC(O)CC2.Cc1cc(/C=C/C(F)(F)F)ccc1C(=O)Nc1cccc2ccc(O)cc12
InChIInChI=1S/C24H23F3N2O.C23H21F3N2O2.C23H21F3N2O.C22H17F3N2O2.C21H20F3NO2.C21H16F3NO2.C21H20F3NO2/c1-15-11-16(9-10-24(25,26)27)5-8-20(15)22(30)29-19-7-6-17-12-18(23(2,3)4)14-28-21(17)13-19;1-3-21(29)17-11-16-5-6-18(12-20(16)27-13-17)28-22(30)19-7-4-15(10-14(19)2)8-9-23(24,25)26;1-14(2)18-11-17-5-6-19(12-21(17)27-13-18)28-22(29)20-7-4-16(10-15(20)3)8-9-23(24,25)26;1-13-9-15(7-8-22(23,24)25)3-6-19(13)21(29)27-18-5-4-16-10-17(14(2)28)12-26-20(16)11-18;2*1-13-11-14(9-10-21(22,23)24)5-8-17(13)20(27)25-19-4-2-3-15-6-7-16(26)12-18(15)19;1-13-11-14(9-10-21(22,23)24)5-8-17(13)20(27)25-16-7-6-15-3-2-4-19(26)18(15)12-16/h5-14H,1-4H3,(H,29,30);4-13,21,29H,3H2,1-2H3,(H,28,30);4-14H,1-3H3,(H,28,29);3-12H,1-2H3,(H,27,29);2-5,8-11,16,26H,6-7,12H2,1H3,(H,25,27);2-12,26H,1H3,(H,25,27);5-12,19,26H,2-4H2,1H3,(H,25,27)/b10-9+;2*9-8+;8-7+;3*10-9+
InChIKeyHFLFNEDSSKXASR-QNDPZKNNSA-N
MW2745.83 g/mol
LogP40.10
Rot. Bonds25

About N-(3-acetylquinolin-7-yl)-2-methyl-4-[(E)-3,3,3-trifluoroprop-1-enyl]benzamide;N-(3-tert-butylquinolin-7-yl)-2-methyl-4-[(E)-3,3,3-trifluoroprop-1-enyl]benzamide;N-(7-hydroxynaphthalen-1-yl)-2-methyl-4-[(E)-3,3,3-trifluoroprop-1-enyl]benzamide;N-[3-(1-hydroxypropyl)quinolin-7-yl]-2-methyl-4-[(E)-3,3,3-trifluoroprop-1-enyl]benzamide;N-(7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)-2-methyl-4-[(E)-3,3,3-trifluoroprop-1-enyl]benzamide;N-(8-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)-2-methyl-4-[(E)-3,3,3-trifluoroprop-1-enyl]benzamide;2-methyl-N-(3-propan-2-ylquinolin-7-yl)-4-[(E)-3,3,3-trifluoroprop-1-enyl]benzamide

N-(3-acetylquinolin-7-yl)-2-methyl-4-[(E)-3,3,3-trifluoroprop-1-enyl]benzamide;N-(3-tert-butylquinolin-7-yl)-2-methyl-4-[(E)-3,3,3-trifluoroprop-1-enyl]benzamide;N-(7-hydroxynaphthalen-1-yl)-2-methyl-4-[(E)-3,3,3-trifluoroprop-1-enyl]benzamide;N-[3-(1-hydroxypropyl)quinolin-7-yl]-2-methyl-4-[(E)-3,3,3-trifluoroprop-1-enyl]benzamide;N-(7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)-2-methyl-4-[(E)-3,3,3-trifluoroprop-1-enyl]benzamide;N-(8-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)-2-methyl-4-[(E)-3,3,3-trifluoroprop-1-enyl]benzamide;2-methyl-N-(3-propan-2-ylquinolin-7-yl)-4-[(E)-3,3,3-trifluoroprop-1-enyl]benzamide (PubChem CID 158463297) has the molecular formula C155H138F21N11O12 and a molecular weight of 2745.83 g/mol. Its IUPAC name is N-(3-acetylquinolin-7-yl)-2-methyl-4-[(E)-3,3,3-trifluoroprop-1-enyl]benzamide;N-(3-tert-butylquinolin-7-yl)-2-methyl-4-[(E)-3,3,3-trifluoroprop-1-enyl]benzamide;N-(7-hydroxynaphthalen-1-yl)-2-methyl-4-[(E)-3,3,3-trifluoroprop-1-enyl]benzamide;N-[3-(1-hydroxypropyl)quinolin-7-yl]-2-methyl-4-[(E)-3,3,3-trifluoroprop-1-enyl]benzamide;N-(7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)-2-methyl-4-[(E)-3,3,3-trifluoroprop-1-enyl]benzamide;N-(8-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)-2-methyl-4-[(E)-3,3,3-trifluoroprop-1-enyl]benzamide;2-methyl-N-(3-propan-2-ylquinolin-7-yl)-4-[(E)-3,3,3-trifluoroprop-1-enyl]benzamide.

Molecular Properties

Compound NameN-(3-acetylquinolin-7-yl)-2-methyl-4-[(E)-3,3,3-trifluoroprop-1-enyl]benzamide;N-(3-tert-butylquinolin-7-yl)-2-methyl-4-[(E)-3,3,3-trifluoroprop-1-enyl]benzamide;N-(7-hydroxynaphthalen-1-yl)-2-methyl-4-[(E)-3,3,3-trifluoroprop-1-enyl]benzamide;N-[3-(1-hydroxypropyl)quinolin-7-yl]-2-methyl-4-[(E)-3,3,3-trifluoroprop-1-enyl]benzamide;N-(7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)-2-methyl-4-[(E)-3,3,3-trifluoroprop-1-enyl]benzamide;N-(8-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)-2-methyl-4-[(E)-3,3,3-trifluoroprop-1-enyl]benzamide;2-methyl-N-(3-propan-2-ylquinolin-7-yl)-4-[(E)-3,3,3-trifluoroprop-1-enyl]benzamide
PubChem CID158463297
Molecular FormulaC155H138F21N11O12
Molecular Weight2745.83 g/mol
Exact Mass2744.02
IUPAC NameN-(3-acetylquinolin-7-yl)-2-methyl-4-[(E)-3,3,3-trifluoroprop-1-enyl]benzamide;N-(3-tert-butylquinolin-7-yl)-2-methyl-4-[(E)-3,3,3-trifluoroprop-1-enyl]benzamide;N-(7-hydroxynaphthalen-1-yl)-2-methyl-4-[(E)-3,3,3-trifluoroprop-1-enyl]benzamide;N-[3-(1-hydroxypropyl)quinolin-7-yl]-2-methyl-4-[(E)-3,3,3-trifluoroprop-1-enyl]benzamide;N-(7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)-2-methyl-4-[(E)-3,3,3-trifluoroprop-1-enyl]benzamide;N-(8-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)-2-methyl-4-[(E)-3,3,3-trifluoroprop-1-enyl]benzamide;2-methyl-N-(3-propan-2-ylquinolin-7-yl)-4-[(E)-3,3,3-trifluoroprop-1-enyl]benzamide
SMILESCC(=O)c1cnc2cc(NC(=O)c3ccc(/C=C/C(F)(F)F)cc3C)ccc2c1.CCC(O)c1cnc2cc(NC(=O)c3ccc(/C=C/C(F)(F)F)cc3C)ccc2c1.Cc1cc(/C=C/C(F)(F)F)ccc1C(=O)Nc1ccc2c(c1)C(O)CCC2.Cc1cc(/C=C/C(F)(F)F)ccc1C(=O)Nc1ccc2cc(C(C)(C)C)cnc2c1.Cc1cc(/C=C/C(F)(F)F)ccc1C(=O)Nc1ccc2cc(C(C)C)cnc2c1.Cc1cc(/C=C/C(F)(F)F)ccc1C(=O)Nc1cccc2c1CC(O)CC2.Cc1cc(/C=C/C(F)(F)F)ccc1C(=O)Nc1cccc2ccc(O)cc12
InChIInChI=1S/C24H23F3N2O.C23H21F3N2O2.C23H21F3N2O.C22H17F3N2O2.C21H20F3NO2.C21H16F3NO2.C21H20F3NO2/c1-15-11-16(9-10-24(25,26)27)5-8-20(15)22(30)29-19-7-6-17-12-18(23(2,3)4)14-28-21(17)13-19;1-3-21(29)17-11-16-5-6-18(12-20(16)27-13-17)28-22(30)19-7-4-15(10-14(19)2)8-9-23(24,25)26;1-14(2)18-11-17-5-6-19(12-21(17)27-13-18)28-22(29)20-7-4-16(10-15(20)3)8-9-23(24,25)26;1-13-9-15(7-8-22(23,24)25)3-6-19(13)21(29)27-18-5-4-16-10-17(14(2)28)12-26-20(16)11-18;2*1-13-11-14(9-10-21(22,23)24)5-8-17(13)20(27)25-19-4-2-3-15-6-7-16(26)12-18(15)19;1-13-11-14(9-10-21(22,23)24)5-8-17(13)20(27)25-16-7-6-15-3-2-4-19(26)18(15)12-16/h5-14H,1-4H3,(H,29,30);4-13,21,29H,3H2,1-2H3,(H,28,30);4-14H,1-3H3,(H,28,29);3-12H,1-2H3,(H,27,29);2-5,8-11,16,26H,6-7,12H2,1H3,(H,25,27);2-12,26H,1H3,(H,25,27);5-12,19,26H,2-4H2,1H3,(H,25,27)/b10-9+;2*9-8+;8-7+;3*10-9+
InChIKeyHFLFNEDSSKXASR-QNDPZKNNSA-N
XLogP40.10
TPSA353.25 Ų
H-Bond Donors11
H-Bond Acceptors16
Rotatable Bonds25
Heavy Atoms199
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002745.83
LogP ≤ 540.10
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1016

Analyze N-(3-acetylquinolin-7-yl)-2-methyl-4-[(E)-3,3,3-trifluoroprop-1-enyl]benzamide;N-(3-tert-butylquinolin-7-yl)-2-methyl-4-[(E)-3,3,3-trifluoroprop-1-enyl]benzamide;N-(7-hydroxynaphthalen-1-yl)-2-methyl-4-[(E)-3,3,3-trifluoroprop-1-enyl]benzamide;N-[3-(1-hydroxypropyl)quinolin-7-yl]-2-methyl-4-[(E)-3,3,3-trifluoroprop-1-enyl]benzamide;N-(7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)-2-methyl-4-[(E)-3,3,3-trifluoroprop-1-enyl]benzamide;N-(8-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)-2-methyl-4-[(E)-3,3,3-trifluoroprop-1-enyl]benzamide;2-methyl-N-(3-propan-2-ylquinolin-7-yl)-4-[(E)-3,3,3-trifluoroprop-1-enyl]benzamide 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

methanol;N-(3-methylquinolin-7-yl)-2-[4-(trifluoromethyl)phenyl]benzamide;7-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]quinoline-3-carboxylic acid
CID 90948785
4-[4-benzyl-3-(2-cyclopropylacetyl)-7-methoxyquinolin-6-yl]-N-butyl-2-fluorobenzamide;4-(4-benzyl-7-fluoro-3-propanoylquinolin-6-yl)-N-butyl-2-fluorobenzamide;4-[4-benzyl-3-propanoyl-7-(trifluoromethyl)quinolin-6-yl]-N-butyl-2-fluorobenzamide;N-butyl-4-[3-(2-cyclopropylacetyl)-4-[2-[4-(hydroxymethyl)phenyl]ethyl]-7-methoxyquinolin-6-yl]-2-fluorobenzamide
CID 157164002
4-[4-amino-3-(2-cyclopropylacetyl)-7-methoxyquinolin-6-yl]-N-(4-methylcyclohexyl)benzamide;4-[3-(2-cyclopropylacetyl)-4-ethyl-7-fluoroquinolin-6-yl]-N-(4-methylcyclohexyl)benzamide;4-[3-(2-cyclopropylacetyl)-4-ethyl-7-methoxyquinolin-6-yl]-N-(4-methylcyclohexyl)benzamide;4-[3-(2-cyclopropylacetyl)-4-ethyl-7-(trifluoromethyl)quinolin-6-yl]-N-(4-methylcyclohexyl)benzamide
CID 157623718
4-[4-benzyl-3-(2-cyclopropylacetyl)-7-methoxyquinolin-6-yl]-N-butyl-2-methylbenzamide;4-(4-benzyl-7-fluoro-3-propanoylquinolin-6-yl)-N-butyl-2-methylbenzamide;4-[4-benzyl-3-propanoyl-7-(trifluoromethyl)quinolin-6-yl]-N-butyl-2-methylbenzamide;N-butyl-4-[3-(2-cyclopropylacetyl)-4-[2-[4-(hydroxymethyl)phenyl]ethyl]-7-methoxyquinolin-6-yl]-2-methylbenzamide
CID 157940603
4-(3-acetyl-4-benzylquinolin-6-yl)-N-butylbenzamide;4-[4-benzyl-3-(3,3-dimethylbutanoyl)-7-methoxyquinolin-6-yl]-N-butylbenzamide;4-(4-benzyl-7-methoxy-3-propanoylquinolin-6-yl)-N-butylbenzamide;4-(4-benzyl-3-propanoylquinolin-6-yl)-N-butylbenzamide;4-[4-benzyl-3-propanoyl-7-(trifluoromethyl)quinolin-6-yl]-N-butylbenzamide
CID 158504122
Cyclopropyl 4-amino-6-[4-(butylcarbamoyl)phenyl]-7-methoxyquinoline-3-carboxylate;cyclopropyl 6-[4-(butylcarbamoyl)phenyl]-4-ethyl-7-fluoroquinoline-3-carboxylate;cyclopropyl 6-[4-(butylcarbamoyl)phenyl]-4-ethyl-7-methoxyquinoline-3-carboxylate;cyclopropyl 6-[4-(butylcarbamoyl)phenyl]-4-ethyl-7-(trifluoromethyl)quinoline-3-carboxylate;methane
CID 159243768
4-[4-amino-3-(2-cyclopropylacetyl)-7-methoxyquinolin-6-yl]-N-butyl-2-fluorobenzamide;N-butyl-4-[3-(2-cyclopropylacetyl)-4-ethyl-7-fluoroquinolin-6-yl]-2-fluorobenzamide;N-butyl-4-[3-(2-cyclopropylacetyl)-4-ethyl-7-methoxyquinolin-6-yl]-2-fluorobenzamide;N-butyl-4-[3-(2-cyclopropylacetyl)-4-ethyl-7-(trifluoromethyl)quinolin-6-yl]-2-fluorobenzamide
CID 159830544
4-[4-benzyl-3-(2-cyclopropylacetyl)-7-methoxyquinolin-6-yl]-N-butylpiperidine-1-carboxamide;4-(4-benzyl-7-fluoro-3-propanoylquinolin-6-yl)-N-butylpiperidine-1-carboxamide;4-[4-benzyl-3-propanoyl-7-(trifluoromethyl)quinolin-6-yl]-N-butylpiperidine-1-carboxamide;N-butyl-4-[3-(2-cyclopropylacetyl)-4-[2-[4-(hydroxymethyl)phenyl]ethyl]-7-methoxyquinolin-6-yl]piperidine-1-carboxamide
CID 160051063
5-[4-benzyl-3-(2-cyclopropylacetyl)-7-methoxyquinolin-6-yl]-N-butylpyrazine-2-carboxamide;5-(4-benzyl-7-fluoro-3-propanoylquinolin-6-yl)-N-butylpyrazine-2-carboxamide;5-[4-benzyl-3-propanoyl-7-(trifluoromethyl)quinolin-6-yl]-N-butylpyrazine-2-carboxamide;N-butyl-5-[3-(2-cyclopropylacetyl)-4-[2-[4-(hydroxymethyl)phenyl]ethyl]-7-methoxyquinolin-6-yl]pyrazine-2-carboxamide
CID 160157081
6-[4-amino-3-(2-cyclopropylacetyl)-7-methoxyquinolin-6-yl]-N-butylpyridine-3-carboxamide;N-butyl-6-[3-(2-cyclopropylacetyl)-4-ethyl-7-fluoroquinolin-6-yl]pyridine-3-carboxamide;N-butyl-6-[3-(2-cyclopropylacetyl)-4-ethyl-7-methoxyquinolin-6-yl]pyridine-3-carboxamide;N-butyl-6-[3-(2-cyclopropylacetyl)-4-ethyl-7-(trifluoromethyl)quinolin-6-yl]pyridine-3-carboxamide
CID 160903740
4-[4-amino-3-(2-cyclopropylacetyl)-7-methoxyquinolin-6-yl]-N-butyl-2-methylbenzamide;N-butyl-4-[3-(2-cyclopropylacetyl)-4-ethyl-7-fluoroquinolin-6-yl]-2-methylbenzamide;N-butyl-4-[3-(2-cyclopropylacetyl)-4-ethyl-7-methoxyquinolin-6-yl]-2-methylbenzamide;N-butyl-4-[3-(2-cyclopropylacetyl)-4-ethyl-7-(trifluoromethyl)quinolin-6-yl]-2-methylbenzamide
CID 160920022
6-[4-benzyl-3-(2-cyclopropylacetyl)-7-methoxyquinolin-6-yl]-N-butylpyridine-3-carboxamide;6-(4-benzyl-7-fluoro-3-propanoylquinolin-6-yl)-N-butylpyridine-3-carboxamide;6-[4-benzyl-3-propanoyl-7-(trifluoromethyl)quinolin-6-yl]-N-butylpyridine-3-carboxamide;N-butyl-6-[3-(2-cyclopropylacetyl)-4-[2-[4-(hydroxymethyl)phenyl]ethyl]-7-methoxyquinolin-6-yl]pyridine-3-carboxamide
CID 161072633

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylquinolin-7-yl)-2-methyl-4-[(E)-3,3,3-trifluoroprop-1-enyl]benzamide;N-(3-tert-butylquinolin-7-yl)-2-methyl-4-[(E)-3,3,3-trifluoroprop-1-enyl]benzamide;N-(7-hydroxynaphthalen-1-yl)-2-methyl-4-[(E)-3,3,3-trifluoroprop-1-enyl]benzamide;N-[3-(1-hydroxypropyl)quinolin-7-yl]-2-methyl-4-[(E)-3,3,3-trifluoroprop-1-enyl]benzamide;N-(7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)-2-methyl-4-[(E)-3,3,3-trifluoroprop-1-enyl]benzamide;N-(8-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)-2-methyl-4-[(E)-3,3,3-trifluoroprop-1-enyl]benzamide;2-methyl-N-(3-propan-2-ylquinolin-7-yl)-4-[(E)-3,3,3-trifluoroprop-1-enyl]benzamide?
The IUPAC name of N-(3-acetylquinolin-7-yl)-2-methyl-4-[(E)-3,3,3-trifluoroprop-1-enyl]benzamide;N-(3-tert-butylquinolin-7-yl)-2-methyl-4-[(E)-3,3,3-trifluoroprop-1-enyl]benzamide;N-(7-hydroxynaphthalen-1-yl)-2-methyl-4-[(E)-3,3,3-trifluoroprop-1-enyl]benzamide;N-[3-(1-hydroxypropyl)quinolin-7-yl]-2-methyl-4-[(E)-3,3,3-trifluoroprop-1-enyl]benzamide;N-(7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)-2-methyl-4-[(E)-3,3,3-trifluoroprop-1-enyl]benzamide;N-(8-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)-2-methyl-4-[(E)-3,3,3-trifluoroprop-1-enyl]benzamide;2-methyl-N-(3-propan-2-ylquinolin-7-yl)-4-[(E)-3,3,3-trifluoroprop-1-enyl]benzamide (CID 158463297) is N-(3-acetylquinolin-7-yl)-2-methyl-4-[(E)-3,3,3-trifluoroprop-1-enyl]benzamide;N-(3-tert-butylquinolin-7-yl)-2-methyl-4-[(E)-3,3,3-trifluoroprop-1-enyl]benzamide;N-(7-hydroxynaphthalen-1-yl)-2-methyl-4-[(E)-3,3,3-trifluoroprop-1-enyl]benzamide;N-[3-(1-hydroxypropyl)quinolin-7-yl]-2-methyl-4-[(E)-3,3,3-trifluoroprop-1-enyl]benzamide;N-(7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)-2-methyl-4-[(E)-3,3,3-trifluoroprop-1-enyl]benzamide;N-(8-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)-2-methyl-4-[(E)-3,3,3-trifluoroprop-1-enyl]benzamide;2-methyl-N-(3-propan-2-ylquinolin-7-yl)-4-[(E)-3,3,3-trifluoroprop-1-enyl]benzamide.
What is the SMILES notation for N-(3-acetylquinolin-7-yl)-2-methyl-4-[(E)-3,3,3-trifluoroprop-1-enyl]benzamide;N-(3-tert-butylquinolin-7-yl)-2-methyl-4-[(E)-3,3,3-trifluoroprop-1-enyl]benzamide;N-(7-hydroxynaphthalen-1-yl)-2-methyl-4-[(E)-3,3,3-trifluoroprop-1-enyl]benzamide;N-[3-(1-hydroxypropyl)quinolin-7-yl]-2-methyl-4-[(E)-3,3,3-trifluoroprop-1-enyl]benzamide;N-(7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)-2-methyl-4-[(E)-3,3,3-trifluoroprop-1-enyl]benzamide;N-(8-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)-2-methyl-4-[(E)-3,3,3-trifluoroprop-1-enyl]benzamide;2-methyl-N-(3-propan-2-ylquinolin-7-yl)-4-[(E)-3,3,3-trifluoroprop-1-enyl]benzamide?
The canonical SMILES for N-(3-acetylquinolin-7-yl)-2-methyl-4-[(E)-3,3,3-trifluoroprop-1-enyl]benzamide;N-(3-tert-butylquinolin-7-yl)-2-methyl-4-[(E)-3,3,3-trifluoroprop-1-enyl]benzamide;N-(7-hydroxynaphthalen-1-yl)-2-methyl-4-[(E)-3,3,3-trifluoroprop-1-enyl]benzamide;N-[3-(1-hydroxypropyl)quinolin-7-yl]-2-methyl-4-[(E)-3,3,3-trifluoroprop-1-enyl]benzamide;N-(7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)-2-methyl-4-[(E)-3,3,3-trifluoroprop-1-enyl]benzamide;N-(8-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)-2-methyl-4-[(E)-3,3,3-trifluoroprop-1-enyl]benzamide;2-methyl-N-(3-propan-2-ylquinolin-7-yl)-4-[(E)-3,3,3-trifluoroprop-1-enyl]benzamide is CC(=O)c1cnc2cc(NC(=O)c3ccc(/C=C/C(F)(F)F)cc3C)ccc2c1.CCC(O)c1cnc2cc(NC(=O)c3ccc(/C=C/C(F)(F)F)cc3C)ccc2c1.Cc1cc(/C=C/C(F)(F)F)ccc1C(=O)Nc1ccc2c(c1)C(O)CCC2.Cc1cc(/C=C/C(F)(F)F)ccc1C(=O)Nc1ccc2cc(C(C)(C)C)cnc2c1.Cc1cc(/C=C/C(F)(F)F)ccc1C(=O)Nc1ccc2cc(C(C)C)cnc2c1.Cc1cc(/C=C/C(F)(F)F)ccc1C(=O)Nc1cccc2c1CC(O)CC2.Cc1cc(/C=C/C(F)(F)F)ccc1C(=O)Nc1cccc2ccc(O)cc12.
What is the InChIKey of N-(3-acetylquinolin-7-yl)-2-methyl-4-[(E)-3,3,3-trifluoroprop-1-enyl]benzamide;N-(3-tert-butylquinolin-7-yl)-2-methyl-4-[(E)-3,3,3-trifluoroprop-1-enyl]benzamide;N-(7-hydroxynaphthalen-1-yl)-2-methyl-4-[(E)-3,3,3-trifluoroprop-1-enyl]benzamide;N-[3-(1-hydroxypropyl)quinolin-7-yl]-2-methyl-4-[(E)-3,3,3-trifluoroprop-1-enyl]benzamide;N-(7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)-2-methyl-4-[(E)-3,3,3-trifluoroprop-1-enyl]benzamide;N-(8-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)-2-methyl-4-[(E)-3,3,3-trifluoroprop-1-enyl]benzamide;2-methyl-N-(3-propan-2-ylquinolin-7-yl)-4-[(E)-3,3,3-trifluoroprop-1-enyl]benzamide?
The InChIKey is HFLFNEDSSKXASR-QNDPZKNNSA-N. The full InChI is InChI=1S/C24H23F3N2O.C23H21F3N2O2.C23H21F3N2O.C22H17F3N2O2.C21H20F3NO2.C21H16F3NO2.C21H20F3NO2/c1-15-11-16(9-10-24(25,26)27)5-8-20(15)22(30)29-19-7-6-17-12-18(23(2,3)4)14-28-21(17)13-19;1-3-21(29)17-11-16-5-6-18(12-20(16)27-13-17)28-22(30)19-7-4-15(10-14(19)2)8-9-23(24,25)26;1-14(2)18-11-17-5-6-19(12-21(17)27-13-18)28-22(29)20-7-4-16(10-15(20)3)8-9-23(24,25)26;1-13-9-15(7-8-22(23,24)25)3-6-19(13)21(29)27-18-5-4-16-10-17(14(2)28)12-26-20(16)11-18;2*1-13-11-14(9-10-21(22,23)24)5-8-17(13)20(27)25-19-4-2-3-15-6-7-16(26)12-18(15)19;1-13-11-14(9-10-21(22,23)24)5-8-17(13)20(27)25-16-7-6-15-3-2-4-19(26)18(15)12-16/h5-14H,1-4H3,(H,29,30);4-13,21,29H,3H2,1-2H3,(H,28,30);4-14H,1-3H3,(H,28,29);3-12H,1-2H3,(H,27,29);2-5,8-11,16,26H,6-7,12H2,1H3,(H,25,27);2-12,26H,1H3,(H,25,27);5-12,19,26H,2-4H2,1H3,(H,25,27)/b10-9+;2*9-8+;8-7+;3*10-9+.
What are the key properties of N-(3-acetylquinolin-7-yl)-2-methyl-4-[(E)-3,3,3-trifluoroprop-1-enyl]benzamide;N-(3-tert-butylquinolin-7-yl)-2-methyl-4-[(E)-3,3,3-trifluoroprop-1-enyl]benzamide;N-(7-hydroxynaphthalen-1-yl)-2-methyl-4-[(E)-3,3,3-trifluoroprop-1-enyl]benzamide;N-[3-(1-hydroxypropyl)quinolin-7-yl]-2-methyl-4-[(E)-3,3,3-trifluoroprop-1-enyl]benzamide;N-(7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)-2-methyl-4-[(E)-3,3,3-trifluoroprop-1-enyl]benzamide;N-(8-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)-2-methyl-4-[(E)-3,3,3-trifluoroprop-1-enyl]benzamide;2-methyl-N-(3-propan-2-ylquinolin-7-yl)-4-[(E)-3,3,3-trifluoroprop-1-enyl]benzamide?
N-(3-acetylquinolin-7-yl)-2-methyl-4-[(E)-3,3,3-trifluoroprop-1-enyl]benzamide;N-(3-tert-butylquinolin-7-yl)-2-methyl-4-[(E)-3,3,3-trifluoroprop-1-enyl]benzamide;N-(7-hydroxynaphthalen-1-yl)-2-methyl-4-[(E)-3,3,3-trifluoroprop-1-enyl]benzamide;N-[3-(1-hydroxypropyl)quinolin-7-yl]-2-methyl-4-[(E)-3,3,3-trifluoroprop-1-enyl]benzamide;N-(7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)-2-methyl-4-[(E)-3,3,3-trifluoroprop-1-enyl]benzamide;N-(8-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)-2-methyl-4-[(E)-3,3,3-trifluoroprop-1-enyl]benzamide;2-methyl-N-(3-propan-2-ylquinolin-7-yl)-4-[(E)-3,3,3-trifluoroprop-1-enyl]benzamide has a molecular weight of 2745.83 g/mol, XLogP of 40.10, 25 rotatable bonds, 11 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylquinolin-7-yl)-2-methyl-4-[(E)-3,3,3-trifluoroprop-1-enyl]benzamide;N-(3-tert-butylquinolin-7-yl)-2-methyl-4-[(E)-3,3,3-trifluoroprop-1-enyl]benzamide;N-(7-hydroxynaphthalen-1-yl)-2-methyl-4-[(E)-3,3,3-trifluoroprop-1-enyl]benzamide;N-[3-(1-hydroxypropyl)quinolin-7-yl]-2-methyl-4-[(E)-3,3,3-trifluoroprop-1-enyl]benzamide;N-(7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)-2-methyl-4-[(E)-3,3,3-trifluoroprop-1-enyl]benzamide;N-(8-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)-2-methyl-4-[(E)-3,3,3-trifluoroprop-1-enyl]benzamide;2-methyl-N-(3-propan-2-ylquinolin-7-yl)-4-[(E)-3,3,3-trifluoroprop-1-enyl]benzamide is sourced from PubChem (CID 158463297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).