4-(3,3-dimethylbut-1-ynyl)-N-(7-ethylquinolin-3-yl)-2-methylbenzamide;N-(3-ethylquinolin-7-yl)-2-methyl-4-[(E)-3,3,3-trifluoroprop-1-enyl]benzamide;2-methyl-N-(2-methylquinolin-6-yl)-4-[(E)-prop-1-enyl]benzamide;2-methyl-N-naphthalen-1-yl-4-[(E)-3,3,3-trifluoroprop-1-enyl]benzamide;2-methyl-N-quinolin-6-yl-4-[(E)-3,3,3-trifluoroprop-1-enyl]benzamide;2-methyl-N-quinolin-7-yl-4-[(E)-3,3,3-trifluoroprop-1-enyl]benzamide;2-methyl-N-quinolin-8-yl-4-[(E)-3,3,3-trifluoroprop-1-enyl]benzamide

C149H126F15N13O7 — CID 159509600

About 4-(3,3-dimethylbut-1-ynyl)-N-(7-ethylquinolin-3-yl)-2-methylbenzamide;N-(3-ethylquinolin-7-yl)-2-methyl-4-[(E)-3,3,3-trifluoroprop-1-enyl]benzamide;2-methyl-N-(2-methylquinolin-6-yl)-4-[(E)-prop-1-enyl]benzamide;2-methyl-N-naphthalen-1-yl-4-[(E)-3,3,3-trifluoroprop-1-enyl]benzamide;2-methyl-N-quinolin-6-yl-4-[(E)-3,3,3-trifluoroprop-1-enyl]benzamide;2-methyl-N-quinolin-7-yl-4-[(E)-3,3,3-trifluoroprop-1-enyl]benzamide;2-methyl-N-quinolin-8-yl-4-[(E)-3,3,3-trifluoroprop-1-enyl]benzamide

4-(3,3-dimethylbut-1-ynyl)-N-(7-ethylquinolin-3-yl)-2-methylbenzamide;N-(3-ethylquinolin-7-yl)-2-methyl-4-[(E)-3,3,3-trifluoroprop-1-enyl]benzamide;2-methyl-N-(2-methylquinolin-6-yl)-4-[(E)-prop-1-enyl]benzamide;2-methyl-N-naphthalen-1-yl-4-[(E)-3,3,3-trifluoroprop-1-enyl]benzamide;2-methyl-N-quinolin-6-yl-4-[(E)-3,3,3-trifluoroprop-1-enyl]benzamide;2-methyl-N-quinolin-7-yl-4-[(E)-3,3,3-trifluoroprop-1-enyl]benzamide;2-methyl-N-quinolin-8-yl-4-[(E)-3,3,3-trifluoroprop-1-enyl]benzamide (PubChem CID 159509600) has the molecular formula C149H126F15N13O7 and a molecular weight of 2495.70 g/mol. Its IUPAC name is 4-(3,3-dimethylbut-1-ynyl)-N-(7-ethylquinolin-3-yl)-2-methylbenzamide;N-(3-ethylquinolin-7-yl)-2-methyl-4-[(E)-3,3,3-trifluoroprop-1-enyl]benzamide;2-methyl-N-(2-methylquinolin-6-yl)-4-[(E)-prop-1-enyl]benzamide;2-methyl-N-naphthalen-1-yl-4-[(E)-3,3,3-trifluoroprop-1-enyl]benzamide;2-methyl-N-quinolin-6-yl-4-[(E)-3,3,3-trifluoroprop-1-enyl]benzamide;2-methyl-N-quinolin-7-yl-4-[(E)-3,3,3-trifluoroprop-1-enyl]benzamide;2-methyl-N-quinolin-8-yl-4-[(E)-3,3,3-trifluoroprop-1-enyl]benzamide.

Molecular Properties

• Compound Name: 4-(3,3-dimethylbut-1-ynyl)-N-(7-ethylquinolin-3-yl)-2-methylbenzamide;N-(3-ethylquinolin-7-yl)-2-methyl-4-[(E)-3,3,3-trifluoroprop-1-enyl]benzamide;2-methyl-N-(2-methylquinolin-6-yl)-4-[(E)-prop-1-enyl]benzamide;2-methyl-N-naphthalen-1-yl-4-[(E)-3,3,3-trifluoroprop-1-enyl]benzamide;2-methyl-N-quinolin-6-yl-4-[(E)-3,3,3-trifluoroprop-1-enyl]benzamide;2-methyl-N-quinolin-7-yl-4-[(E)-3,3,3-trifluoroprop-1-enyl]benzamide;2-methyl-N-quinolin-8-yl-4-[(E)-3,3,3-trifluoroprop-1-enyl]benzamide
• PubChem CID: 159509600
• Molecular Formula: C149H126F15N13O7
• Molecular Weight: 2495.70 g/mol
• Exact Mass: 2493.97
• IUPAC Name: 4-(3,3-dimethylbut-1-ynyl)-N-(7-ethylquinolin-3-yl)-2-methylbenzamide;N-(3-ethylquinolin-7-yl)-2-methyl-4-[(E)-3,3,3-trifluoroprop-1-enyl]benzamide;2-methyl-N-(2-methylquinolin-6-yl)-4-[(E)-prop-1-enyl]benzamide;2-methyl-N-naphthalen-1-yl-4-[(E)-3,3,3-trifluoroprop-1-enyl]benzamide;2-methyl-N-quinolin-6-yl-4-[(E)-3,3,3-trifluoroprop-1-enyl]benzamide;2-methyl-N-quinolin-7-yl-4-[(E)-3,3,3-trifluoroprop-1-enyl]benzamide;2-methyl-N-quinolin-8-yl-4-[(E)-3,3,3-trifluoroprop-1-enyl]benzamide
• SMILES: C/C=C/c1ccc(C(=O)Nc2ccc3nc(C)ccc3c2)c(C)c1.CCc1ccc2cc(NC(=O)c3ccc(C#CC(C)(C)C)cc3C)cnc2c1.CCc1cnc2cc(NC(=O)c3ccc(/C=C/C(F)(F)F)cc3C)ccc2c1.Cc1cc(/C=C/C(F)(F)F)ccc1C(=O)Nc1ccc2cccnc2c1.Cc1cc(/C=C/C(F)(F)F)ccc1C(=O)Nc1ccc2ncccc2c1.Cc1cc(/C=C/C(F)(F)F)ccc1C(=O)Nc1cccc2ccccc12.Cc1cc(/C=C/C(F)(F)F)ccc1C(=O)Nc1cccc2cccnc12
• InChI: InChI=1S/C25H26N2O.C22H19F3N2O.C21H16F3NO.C21H20N2O.3C20H15F3N2O/c1-6-18-7-9-20-15-21(16-26-23(20)14-18)27-24(28)22-10-8-19(13-17(22)2)11-12-25(3,4)5;1-3-15-11-17-5-6-18(12-20(17)26-13-15)27-21(28)19-7-4-16(10-14(19)2)8-9-22(23,24)25;1-14-13-15(11-12-21(22,23)24)9-10-17(14)20(26)25-19-8-4-6-16-5-2-3-7-18(16)19;1-4-5-16-7-10-19(14(2)12-16)21(24)23-18-9-11-20-17(13-18)8-6-15(3)22-20;1-13-12-14(9-10-20(21,22)23)7-8-16(13)19(26)25-17-6-2-4-15-5-3-11-24-18(15)17;1-13-11-14(8-9-20(21,22)23)4-7-17(13)19(26)25-16-6-5-15-3-2-10-24-18(15)12-16;1-13-11-14(8-9-20(21,22)23)4-6-17(13)19(26)25-16-5-7-18-15(12-16)3-2-10-24-18/h7-10,13-16H,6H2,1-5H3,(H,27,28);4-13H,3H2,1-2H3,(H,27,28);2-13H,1H3,(H,25,26);4-13H,1-3H3,(H,23,24);3*2-12H,1H3,(H,25,26)/b;9-8+;12-11+;5-4+;10-9+;2*9-8+
• InChIKey: MAKVJWBJKBGJJX-FDIWIBTPSA-N
• XLogP: 38.92
• TPSA: 281.04 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 13
• Rotatable Bonds: 22
• Heavy Atoms: 184
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2495.70
LogP ≤ 5	38.92
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-(3,3-dimethylbut-1-ynyl)-N-(7-ethylquinolin-3-yl)-2-methylbenzamide;N-(3-ethylquinolin-7-yl)-2-methyl-4-[(E)-3,3,3-trifluoroprop-1-enyl]benzamide;2-methyl-N-(2-methylquinolin-6-yl)-4-[(E)-prop-1-enyl]benzamide;2-methyl-N-naphthalen-1-yl-4-[(E)-3,3,3-trifluoroprop-1-enyl]benzamide;2-methyl-N-quinolin-6-yl-4-[(E)-3,3,3-trifluoroprop-1-enyl]benzamide;2-methyl-N-quinolin-7-yl-4-[(E)-3,3,3-trifluoroprop-1-enyl]benzamide;2-methyl-N-quinolin-8-yl-4-[(E)-3,3,3-trifluoroprop-1-enyl]benzamide?

The IUPAC name of 4-(3,3-dimethylbut-1-ynyl)-N-(7-ethylquinolin-3-yl)-2-methylbenzamide;N-(3-ethylquinolin-7-yl)-2-methyl-4-[(E)-3,3,3-trifluoroprop-1-enyl]benzamide;2-methyl-N-(2-methylquinolin-6-yl)-4-[(E)-prop-1-enyl]benzamide;2-methyl-N-naphthalen-1-yl-4-[(E)-3,3,3-trifluoroprop-1-enyl]benzamide;2-methyl-N-quinolin-6-yl-4-[(E)-3,3,3-trifluoroprop-1-enyl]benzamide;2-methyl-N-quinolin-7-yl-4-[(E)-3,3,3-trifluoroprop-1-enyl]benzamide;2-methyl-N-quinolin-8-yl-4-[(E)-3,3,3-trifluoroprop-1-enyl]benzamide (CID 159509600) is 4-(3,3-dimethylbut-1-ynyl)-N-(7-ethylquinolin-3-yl)-2-methylbenzamide;N-(3-ethylquinolin-7-yl)-2-methyl-4-[(E)-3,3,3-trifluoroprop-1-enyl]benzamide;2-methyl-N-(2-methylquinolin-6-yl)-4-[(E)-prop-1-enyl]benzamide;2-methyl-N-naphthalen-1-yl-4-[(E)-3,3,3-trifluoroprop-1-enyl]benzamide;2-methyl-N-quinolin-6-yl-4-[(E)-3,3,3-trifluoroprop-1-enyl]benzamide;2-methyl-N-quinolin-7-yl-4-[(E)-3,3,3-trifluoroprop-1-enyl]benzamide;2-methyl-N-quinolin-8-yl-4-[(E)-3,3,3-trifluoroprop-1-enyl]benzamide.

What is the SMILES notation for 4-(3,3-dimethylbut-1-ynyl)-N-(7-ethylquinolin-3-yl)-2-methylbenzamide;N-(3-ethylquinolin-7-yl)-2-methyl-4-[(E)-3,3,3-trifluoroprop-1-enyl]benzamide;2-methyl-N-(2-methylquinolin-6-yl)-4-[(E)-prop-1-enyl]benzamide;2-methyl-N-naphthalen-1-yl-4-[(E)-3,3,3-trifluoroprop-1-enyl]benzamide;2-methyl-N-quinolin-6-yl-4-[(E)-3,3,3-trifluoroprop-1-enyl]benzamide;2-methyl-N-quinolin-7-yl-4-[(E)-3,3,3-trifluoroprop-1-enyl]benzamide;2-methyl-N-quinolin-8-yl-4-[(E)-3,3,3-trifluoroprop-1-enyl]benzamide?

The canonical SMILES for 4-(3,3-dimethylbut-1-ynyl)-N-(7-ethylquinolin-3-yl)-2-methylbenzamide;N-(3-ethylquinolin-7-yl)-2-methyl-4-[(E)-3,3,3-trifluoroprop-1-enyl]benzamide;2-methyl-N-(2-methylquinolin-6-yl)-4-[(E)-prop-1-enyl]benzamide;2-methyl-N-naphthalen-1-yl-4-[(E)-3,3,3-trifluoroprop-1-enyl]benzamide;2-methyl-N-quinolin-6-yl-4-[(E)-3,3,3-trifluoroprop-1-enyl]benzamide;2-methyl-N-quinolin-7-yl-4-[(E)-3,3,3-trifluoroprop-1-enyl]benzamide;2-methyl-N-quinolin-8-yl-4-[(E)-3,3,3-trifluoroprop-1-enyl]benzamide is C/C=C/c1ccc(C(=O)Nc2ccc3nc(C)ccc3c2)c(C)c1.CCc1ccc2cc(NC(=O)c3ccc(C#CC(C)(C)C)cc3C)cnc2c1.CCc1cnc2cc(NC(=O)c3ccc(/C=C/C(F)(F)F)cc3C)ccc2c1.Cc1cc(/C=C/C(F)(F)F)ccc1C(=O)Nc1ccc2cccnc2c1.Cc1cc(/C=C/C(F)(F)F)ccc1C(=O)Nc1ccc2ncccc2c1.Cc1cc(/C=C/C(F)(F)F)ccc1C(=O)Nc1cccc2ccccc12.Cc1cc(/C=C/C(F)(F)F)ccc1C(=O)Nc1cccc2cccnc12.

What is the InChIKey of 4-(3,3-dimethylbut-1-ynyl)-N-(7-ethylquinolin-3-yl)-2-methylbenzamide;N-(3-ethylquinolin-7-yl)-2-methyl-4-[(E)-3,3,3-trifluoroprop-1-enyl]benzamide;2-methyl-N-(2-methylquinolin-6-yl)-4-[(E)-prop-1-enyl]benzamide;2-methyl-N-naphthalen-1-yl-4-[(E)-3,3,3-trifluoroprop-1-enyl]benzamide;2-methyl-N-quinolin-6-yl-4-[(E)-3,3,3-trifluoroprop-1-enyl]benzamide;2-methyl-N-quinolin-7-yl-4-[(E)-3,3,3-trifluoroprop-1-enyl]benzamide;2-methyl-N-quinolin-8-yl-4-[(E)-3,3,3-trifluoroprop-1-enyl]benzamide?

The InChIKey is MAKVJWBJKBGJJX-FDIWIBTPSA-N. The full InChI is InChI=1S/C25H26N2O.C22H19F3N2O.C21H16F3NO.C21H20N2O.3C20H15F3N2O/c1-6-18-7-9-20-15-21(16-26-23(20)14-18)27-24(28)22-10-8-19(13-17(22)2)11-12-25(3,4)5;1-3-15-11-17-5-6-18(12-20(17)26-13-15)27-21(28)19-7-4-16(10-14(19)2)8-9-22(23,24)25;1-14-13-15(11-12-21(22,23)24)9-10-17(14)20(26)25-19-8-4-6-16-5-2-3-7-18(16)19;1-4-5-16-7-10-19(14(2)12-16)21(24)23-18-9-11-20-17(13-18)8-6-15(3)22-20;1-13-12-14(9-10-20(21,22)23)7-8-16(13)19(26)25-17-6-2-4-15-5-3-11-24-18(15)17;1-13-11-14(8-9-20(21,22)23)4-7-17(13)19(26)25-16-6-5-15-3-2-10-24-18(15)12-16;1-13-11-14(8-9-20(21,22)23)4-6-17(13)19(26)25-16-5-7-18-15(12-16)3-2-10-24-18/h7-10,13-16H,6H2,1-5H3,(H,27,28);4-13H,3H2,1-2H3,(H,27,28);2-13H,1H3,(H,25,26);4-13H,1-3H3,(H,23,24);3*2-12H,1H3,(H,25,26)/b;9-8+;12-11+;5-4+;10-9+;2*9-8+.

What are the key properties of 4-(3,3-dimethylbut-1-ynyl)-N-(7-ethylquinolin-3-yl)-2-methylbenzamide;N-(3-ethylquinolin-7-yl)-2-methyl-4-[(E)-3,3,3-trifluoroprop-1-enyl]benzamide;2-methyl-N-(2-methylquinolin-6-yl)-4-[(E)-prop-1-enyl]benzamide;2-methyl-N-naphthalen-1-yl-4-[(E)-3,3,3-trifluoroprop-1-enyl]benzamide;2-methyl-N-quinolin-6-yl-4-[(E)-3,3,3-trifluoroprop-1-enyl]benzamide;2-methyl-N-quinolin-7-yl-4-[(E)-3,3,3-trifluoroprop-1-enyl]benzamide;2-methyl-N-quinolin-8-yl-4-[(E)-3,3,3-trifluoroprop-1-enyl]benzamide?

4-(3,3-dimethylbut-1-ynyl)-N-(7-ethylquinolin-3-yl)-2-methylbenzamide;N-(3-ethylquinolin-7-yl)-2-methyl-4-[(E)-3,3,3-trifluoroprop-1-enyl]benzamide;2-methyl-N-(2-methylquinolin-6-yl)-4-[(E)-prop-1-enyl]benzamide;2-methyl-N-naphthalen-1-yl-4-[(E)-3,3,3-trifluoroprop-1-enyl]benzamide;2-methyl-N-quinolin-6-yl-4-[(E)-3,3,3-trifluoroprop-1-enyl]benzamide;2-methyl-N-quinolin-7-yl-4-[(E)-3,3,3-trifluoroprop-1-enyl]benzamide;2-methyl-N-quinolin-8-yl-4-[(E)-3,3,3-trifluoroprop-1-enyl]benzamide has a molecular weight of 2495.70 g/mol, XLogP of 38.92, 22 rotatable bonds, 7 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(3,3-dimethylbut-1-ynyl)-N-(7-ethylquinolin-3-yl)-2-methylbenzamide;N-(3-ethylquinolin-7-yl)-2-methyl-4-[(E)-3,3,3-trifluoroprop-1-enyl]benzamide;2-methyl-N-(2-methylquinolin-6-yl)-4-[(E)-prop-1-enyl]benzamide;2-methyl-N-naphthalen-1-yl-4-[(E)-3,3,3-trifluoroprop-1-enyl]benzamide;2-methyl-N-quinolin-6-yl-4-[(E)-3,3,3-trifluoroprop-1-enyl]benzamide;2-methyl-N-quinolin-7-yl-4-[(E)-3,3,3-trifluoroprop-1-enyl]benzamide;2-methyl-N-quinolin-8-yl-4-[(E)-3,3,3-trifluoroprop-1-enyl]benzamide is sourced from PubChem (CID 159509600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).