3-(7-bromoquinolin-4-yl)oxy-N-[(4-cyano-3-fluorophenyl)methyl]-2-methylbenzamide;3-(7-bromoquinolin-4-yl)oxy-N-[(2,6-difluoro-4-pyridinyl)methyl]-2-methylbenzamide;N-[(2-chloro-6-fluoro-4-pyridinyl)methyl]-3-(7-methoxyquinolin-4-yl)oxy-2-methylbenzamide;3-(7-chloroquinolin-4-yl)oxy-2-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]benzamide;3-(7-chloroquinolin-4-yl)oxy-2-methyl-N-[(2,3,6-trifluoro-4-pyridinyl)methyl]benzamide;2-methyl-3-(7-methylquinolin-4-yl)oxy-N-[(2,3,6-trifluoro-4-pyridinyl)methyl]benzamide

C145H107Br2Cl3F10N18O14 — CID 167689957

About 3-(7-bromoquinolin-4-yl)oxy-N-[(4-cyano-3-fluorophenyl)methyl]-2-methylbenzamide;3-(7-bromoquinolin-4-yl)oxy-N-[(2,6-difluoro-4-pyridinyl)methyl]-2-methylbenzamide;N-[(2-chloro-6-fluoro-4-pyridinyl)methyl]-3-(7-methoxyquinolin-4-yl)oxy-2-methylbenzamide;3-(7-chloroquinolin-4-yl)oxy-2-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]benzamide;3-(7-chloroquinolin-4-yl)oxy-2-methyl-N-[(2,3,6-trifluoro-4-pyridinyl)methyl]benzamide;2-methyl-3-(7-methylquinolin-4-yl)oxy-N-[(2,3,6-trifluoro-4-pyridinyl)methyl]benzamide

3-(7-bromoquinolin-4-yl)oxy-N-[(4-cyano-3-fluorophenyl)methyl]-2-methylbenzamide;3-(7-bromoquinolin-4-yl)oxy-N-[(2,6-difluoro-4-pyridinyl)methyl]-2-methylbenzamide;N-[(2-chloro-6-fluoro-4-pyridinyl)methyl]-3-(7-methoxyquinolin-4-yl)oxy-2-methylbenzamide;3-(7-chloroquinolin-4-yl)oxy-2-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]benzamide;3-(7-chloroquinolin-4-yl)oxy-2-methyl-N-[(2,3,6-trifluoro-4-pyridinyl)methyl]benzamide;2-methyl-3-(7-methylquinolin-4-yl)oxy-N-[(2,3,6-trifluoro-4-pyridinyl)methyl]benzamide (PubChem CID 167689957) has the molecular formula C145H107Br2Cl3F10N18O14 and a molecular weight of 2781.71 g/mol. Its IUPAC name is 3-(7-bromoquinolin-4-yl)oxy-N-[(4-cyano-3-fluorophenyl)methyl]-2-methylbenzamide;3-(7-bromoquinolin-4-yl)oxy-N-[(2,6-difluoro-4-pyridinyl)methyl]-2-methylbenzamide;N-[(2-chloro-6-fluoro-4-pyridinyl)methyl]-3-(7-methoxyquinolin-4-yl)oxy-2-methylbenzamide;3-(7-chloroquinolin-4-yl)oxy-2-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]benzamide;3-(7-chloroquinolin-4-yl)oxy-2-methyl-N-[(2,3,6-trifluoro-4-pyridinyl)methyl]benzamide;2-methyl-3-(7-methylquinolin-4-yl)oxy-N-[(2,3,6-trifluoro-4-pyridinyl)methyl]benzamide.

Molecular Properties

• Compound Name: 3-(7-bromoquinolin-4-yl)oxy-N-[(4-cyano-3-fluorophenyl)methyl]-2-methylbenzamide;3-(7-bromoquinolin-4-yl)oxy-N-[(2,6-difluoro-4-pyridinyl)methyl]-2-methylbenzamide;N-[(2-chloro-6-fluoro-4-pyridinyl)methyl]-3-(7-methoxyquinolin-4-yl)oxy-2-methylbenzamide;3-(7-chloroquinolin-4-yl)oxy-2-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]benzamide;3-(7-chloroquinolin-4-yl)oxy-2-methyl-N-[(2,3,6-trifluoro-4-pyridinyl)methyl]benzamide;2-methyl-3-(7-methylquinolin-4-yl)oxy-N-[(2,3,6-trifluoro-4-pyridinyl)methyl]benzamide
• PubChem CID: 167689957
• Molecular Formula: C145H107Br2Cl3F10N18O14
• Molecular Weight: 2781.71 g/mol
• Exact Mass: 2776.55
• IUPAC Name: 3-(7-bromoquinolin-4-yl)oxy-N-[(4-cyano-3-fluorophenyl)methyl]-2-methylbenzamide;3-(7-bromoquinolin-4-yl)oxy-N-[(2,6-difluoro-4-pyridinyl)methyl]-2-methylbenzamide;N-[(2-chloro-6-fluoro-4-pyridinyl)methyl]-3-(7-methoxyquinolin-4-yl)oxy-2-methylbenzamide;3-(7-chloroquinolin-4-yl)oxy-2-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]benzamide;3-(7-chloroquinolin-4-yl)oxy-2-methyl-N-[(2,3,6-trifluoro-4-pyridinyl)methyl]benzamide;2-methyl-3-(7-methylquinolin-4-yl)oxy-N-[(2,3,6-trifluoro-4-pyridinyl)methyl]benzamide
• SMILES: CNC(=O)c1ccc(CNC(=O)c2cccc(Oc3ccnc4cc(Cl)ccc34)c2C)cc1.COc1ccc2c(Oc3cccc(C(=O)NCc4cc(F)nc(Cl)c4)c3C)ccnc2c1.Cc1c(Oc2ccnc3cc(Br)ccc23)cccc1C(=O)NCc1cc(F)nc(F)c1.Cc1c(Oc2ccnc3cc(Br)ccc23)cccc1C(=O)NCc1ccc(C#N)c(F)c1.Cc1c(Oc2ccnc3cc(Cl)ccc23)cccc1C(=O)NCc1cc(F)nc(F)c1F.Cc1ccc2c(Oc3cccc(C(=O)NCc4cc(F)nc(F)c4F)c3C)ccnc2c1
• InChI: InChI=1S/C26H22ClN3O3.C25H17BrFN3O2.C24H19ClFN3O3.C24H18F3N3O2.C23H16BrF2N3O2.C23H15ClF3N3O2/c1-16-20(26(32)30-15-17-6-8-18(9-7-17)25(31)28-2)4-3-5-23(16)33-24-12-13-29-22-14-19(27)10-11-21(22)24;1-15-19(25(31)30-14-16-5-6-17(13-28)21(27)11-16)3-2-4-23(15)32-24-9-10-29-22-12-18(26)7-8-20(22)24;1-14-17(24(30)28-13-15-10-22(25)29-23(26)11-15)4-3-5-20(14)32-21-8-9-27-19-12-16(31-2)6-7-18(19)21;1-13-6-7-17-18(10-13)28-9-8-20(17)32-19-5-3-4-16(14(19)2)24(31)29-12-15-11-21(25)30-23(27)22(15)26;1-13-16(23(30)28-12-14-9-21(25)29-22(26)10-14)3-2-4-19(13)31-20-7-8-27-18-11-15(24)5-6-17(18)20;1-12-15(23(31)29-11-13-9-20(25)30-22(27)21(13)26)3-2-4-18(12)32-19-7-8-28-17-10-14(24)5-6-16(17)19/h3-14H,15H2,1-2H3,(H,28,31)(H,30,32);2-12H,14H2,1H3,(H,30,31);3-12H,13H2,1-2H3,(H,28,30);3-11H,12H2,1-2H3,(H,29,31);2-11H,12H2,1H3,(H,28,30);2-10H,11H2,1H3,(H,29,31)
• InChIKey: WTWYGHNPKJYRAI-UHFFFAOYSA-N
• XLogP: 33.60
• TPSA: 421.00 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 25
• Rotatable Bonds: 32
• Heavy Atoms: 192
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2781.71
LogP ≤ 5	33.60
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-(7-bromoquinolin-4-yl)oxy-N-[(4-cyano-3-fluorophenyl)methyl]-2-methylbenzamide;3-(7-bromoquinolin-4-yl)oxy-N-[(2,6-difluoro-4-pyridinyl)methyl]-2-methylbenzamide;N-[(2-chloro-6-fluoro-4-pyridinyl)methyl]-3-(7-methoxyquinolin-4-yl)oxy-2-methylbenzamide;3-(7-chloroquinolin-4-yl)oxy-2-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]benzamide;3-(7-chloroquinolin-4-yl)oxy-2-methyl-N-[(2,3,6-trifluoro-4-pyridinyl)methyl]benzamide;2-methyl-3-(7-methylquinolin-4-yl)oxy-N-[(2,3,6-trifluoro-4-pyridinyl)methyl]benzamide?

The IUPAC name of 3-(7-bromoquinolin-4-yl)oxy-N-[(4-cyano-3-fluorophenyl)methyl]-2-methylbenzamide;3-(7-bromoquinolin-4-yl)oxy-N-[(2,6-difluoro-4-pyridinyl)methyl]-2-methylbenzamide;N-[(2-chloro-6-fluoro-4-pyridinyl)methyl]-3-(7-methoxyquinolin-4-yl)oxy-2-methylbenzamide;3-(7-chloroquinolin-4-yl)oxy-2-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]benzamide;3-(7-chloroquinolin-4-yl)oxy-2-methyl-N-[(2,3,6-trifluoro-4-pyridinyl)methyl]benzamide;2-methyl-3-(7-methylquinolin-4-yl)oxy-N-[(2,3,6-trifluoro-4-pyridinyl)methyl]benzamide (CID 167689957) is 3-(7-bromoquinolin-4-yl)oxy-N-[(4-cyano-3-fluorophenyl)methyl]-2-methylbenzamide;3-(7-bromoquinolin-4-yl)oxy-N-[(2,6-difluoro-4-pyridinyl)methyl]-2-methylbenzamide;N-[(2-chloro-6-fluoro-4-pyridinyl)methyl]-3-(7-methoxyquinolin-4-yl)oxy-2-methylbenzamide;3-(7-chloroquinolin-4-yl)oxy-2-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]benzamide;3-(7-chloroquinolin-4-yl)oxy-2-methyl-N-[(2,3,6-trifluoro-4-pyridinyl)methyl]benzamide;2-methyl-3-(7-methylquinolin-4-yl)oxy-N-[(2,3,6-trifluoro-4-pyridinyl)methyl]benzamide.

What is the SMILES notation for 3-(7-bromoquinolin-4-yl)oxy-N-[(4-cyano-3-fluorophenyl)methyl]-2-methylbenzamide;3-(7-bromoquinolin-4-yl)oxy-N-[(2,6-difluoro-4-pyridinyl)methyl]-2-methylbenzamide;N-[(2-chloro-6-fluoro-4-pyridinyl)methyl]-3-(7-methoxyquinolin-4-yl)oxy-2-methylbenzamide;3-(7-chloroquinolin-4-yl)oxy-2-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]benzamide;3-(7-chloroquinolin-4-yl)oxy-2-methyl-N-[(2,3,6-trifluoro-4-pyridinyl)methyl]benzamide;2-methyl-3-(7-methylquinolin-4-yl)oxy-N-[(2,3,6-trifluoro-4-pyridinyl)methyl]benzamide?

The canonical SMILES for 3-(7-bromoquinolin-4-yl)oxy-N-[(4-cyano-3-fluorophenyl)methyl]-2-methylbenzamide;3-(7-bromoquinolin-4-yl)oxy-N-[(2,6-difluoro-4-pyridinyl)methyl]-2-methylbenzamide;N-[(2-chloro-6-fluoro-4-pyridinyl)methyl]-3-(7-methoxyquinolin-4-yl)oxy-2-methylbenzamide;3-(7-chloroquinolin-4-yl)oxy-2-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]benzamide;3-(7-chloroquinolin-4-yl)oxy-2-methyl-N-[(2,3,6-trifluoro-4-pyridinyl)methyl]benzamide;2-methyl-3-(7-methylquinolin-4-yl)oxy-N-[(2,3,6-trifluoro-4-pyridinyl)methyl]benzamide is CNC(=O)c1ccc(CNC(=O)c2cccc(Oc3ccnc4cc(Cl)ccc34)c2C)cc1.COc1ccc2c(Oc3cccc(C(=O)NCc4cc(F)nc(Cl)c4)c3C)ccnc2c1.Cc1c(Oc2ccnc3cc(Br)ccc23)cccc1C(=O)NCc1cc(F)nc(F)c1.Cc1c(Oc2ccnc3cc(Br)ccc23)cccc1C(=O)NCc1ccc(C#N)c(F)c1.Cc1c(Oc2ccnc3cc(Cl)ccc23)cccc1C(=O)NCc1cc(F)nc(F)c1F.Cc1ccc2c(Oc3cccc(C(=O)NCc4cc(F)nc(F)c4F)c3C)ccnc2c1.

What is the InChIKey of 3-(7-bromoquinolin-4-yl)oxy-N-[(4-cyano-3-fluorophenyl)methyl]-2-methylbenzamide;3-(7-bromoquinolin-4-yl)oxy-N-[(2,6-difluoro-4-pyridinyl)methyl]-2-methylbenzamide;N-[(2-chloro-6-fluoro-4-pyridinyl)methyl]-3-(7-methoxyquinolin-4-yl)oxy-2-methylbenzamide;3-(7-chloroquinolin-4-yl)oxy-2-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]benzamide;3-(7-chloroquinolin-4-yl)oxy-2-methyl-N-[(2,3,6-trifluoro-4-pyridinyl)methyl]benzamide;2-methyl-3-(7-methylquinolin-4-yl)oxy-N-[(2,3,6-trifluoro-4-pyridinyl)methyl]benzamide?

The InChIKey is WTWYGHNPKJYRAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22ClN3O3.C25H17BrFN3O2.C24H19ClFN3O3.C24H18F3N3O2.C23H16BrF2N3O2.C23H15ClF3N3O2/c1-16-20(26(32)30-15-17-6-8-18(9-7-17)25(31)28-2)4-3-5-23(16)33-24-12-13-29-22-14-19(27)10-11-21(22)24;1-15-19(25(31)30-14-16-5-6-17(13-28)21(27)11-16)3-2-4-23(15)32-24-9-10-29-22-12-18(26)7-8-20(22)24;1-14-17(24(30)28-13-15-10-22(25)29-23(26)11-15)4-3-5-20(14)32-21-8-9-27-19-12-16(31-2)6-7-18(19)21;1-13-6-7-17-18(10-13)28-9-8-20(17)32-19-5-3-4-16(14(19)2)24(31)29-12-15-11-21(25)30-23(27)22(15)26;1-13-16(23(30)28-12-14-9-21(25)29-22(26)10-14)3-2-4-19(13)31-20-7-8-27-18-11-15(24)5-6-17(18)20;1-12-15(23(31)29-11-13-9-20(25)30-22(27)21(13)26)3-2-4-18(12)32-19-7-8-28-17-10-14(24)5-6-16(17)19/h3-14H,15H2,1-2H3,(H,28,31)(H,30,32);2-12H,14H2,1H3,(H,30,31);3-12H,13H2,1-2H3,(H,28,30);3-11H,12H2,1-2H3,(H,29,31);2-11H,12H2,1H3,(H,28,30);2-10H,11H2,1H3,(H,29,31).

What are the key properties of 3-(7-bromoquinolin-4-yl)oxy-N-[(4-cyano-3-fluorophenyl)methyl]-2-methylbenzamide;3-(7-bromoquinolin-4-yl)oxy-N-[(2,6-difluoro-4-pyridinyl)methyl]-2-methylbenzamide;N-[(2-chloro-6-fluoro-4-pyridinyl)methyl]-3-(7-methoxyquinolin-4-yl)oxy-2-methylbenzamide;3-(7-chloroquinolin-4-yl)oxy-2-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]benzamide;3-(7-chloroquinolin-4-yl)oxy-2-methyl-N-[(2,3,6-trifluoro-4-pyridinyl)methyl]benzamide;2-methyl-3-(7-methylquinolin-4-yl)oxy-N-[(2,3,6-trifluoro-4-pyridinyl)methyl]benzamide?

3-(7-bromoquinolin-4-yl)oxy-N-[(4-cyano-3-fluorophenyl)methyl]-2-methylbenzamide;3-(7-bromoquinolin-4-yl)oxy-N-[(2,6-difluoro-4-pyridinyl)methyl]-2-methylbenzamide;N-[(2-chloro-6-fluoro-4-pyridinyl)methyl]-3-(7-methoxyquinolin-4-yl)oxy-2-methylbenzamide;3-(7-chloroquinolin-4-yl)oxy-2-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]benzamide;3-(7-chloroquinolin-4-yl)oxy-2-methyl-N-[(2,3,6-trifluoro-4-pyridinyl)methyl]benzamide;2-methyl-3-(7-methylquinolin-4-yl)oxy-N-[(2,3,6-trifluoro-4-pyridinyl)methyl]benzamide has a molecular weight of 2781.71 g/mol, XLogP of 33.60, 32 rotatable bonds, 7 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(7-bromoquinolin-4-yl)oxy-N-[(4-cyano-3-fluorophenyl)methyl]-2-methylbenzamide;3-(7-bromoquinolin-4-yl)oxy-N-[(2,6-difluoro-4-pyridinyl)methyl]-2-methylbenzamide;N-[(2-chloro-6-fluoro-4-pyridinyl)methyl]-3-(7-methoxyquinolin-4-yl)oxy-2-methylbenzamide;3-(7-chloroquinolin-4-yl)oxy-2-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]benzamide;3-(7-chloroquinolin-4-yl)oxy-2-methyl-N-[(2,3,6-trifluoro-4-pyridinyl)methyl]benzamide;2-methyl-3-(7-methylquinolin-4-yl)oxy-N-[(2,3,6-trifluoro-4-pyridinyl)methyl]benzamide is sourced from PubChem (CID 167689957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).