11-(2,2-dimethylpropyl)benzo[b][1]benzazepine;2,2-dimethyl-N-[6-(pyridin-2-ylmethoxy)quinolin-8-yl]propanamide;2,2-dimethyl-N-[6-(pyridin-3-ylmethoxy)quinolin-8-yl]propanamide;2,2-dimethyl-N-[6-(pyridin-4-ylmethoxy)quinolin-8-yl]propanamide;2,2-dimethyl-N-(6-pyridin-2-yloxyquinolin-8-yl)propanamide;2,2-dimethyl-N-quinolin-5-ylpropanamide;N-(4,5-diphenyl-1,3-thiazol-2-yl)-2,2-dimethylpropanamide;N-[6-(4-fluorophenyl)quinolin-8-yl]-2,2-dimethylpropanamide;N-isoquinolin-5-yl-2,2-dimethylpropanamide

C166H174FN21O12S — CID 159933138

About 11-(2,2-dimethylpropyl)benzo[b][1]benzazepine;2,2-dimethyl-N-[6-(pyridin-2-ylmethoxy)quinolin-8-yl]propanamide;2,2-dimethyl-N-[6-(pyridin-3-ylmethoxy)quinolin-8-yl]propanamide;2,2-dimethyl-N-[6-(pyridin-4-ylmethoxy)quinolin-8-yl]propanamide;2,2-dimethyl-N-(6-pyridin-2-yloxyquinolin-8-yl)propanamide;2,2-dimethyl-N-quinolin-5-ylpropanamide;N-(4,5-diphenyl-1,3-thiazol-2-yl)-2,2-dimethylpropanamide;N-[6-(4-fluorophenyl)quinolin-8-yl]-2,2-dimethylpropanamide;N-isoquinolin-5-yl-2,2-dimethylpropanamide

11-(2,2-dimethylpropyl)benzo[b][1]benzazepine;2,2-dimethyl-N-[6-(pyridin-2-ylmethoxy)quinolin-8-yl]propanamide;2,2-dimethyl-N-[6-(pyridin-3-ylmethoxy)quinolin-8-yl]propanamide;2,2-dimethyl-N-[6-(pyridin-4-ylmethoxy)quinolin-8-yl]propanamide;2,2-dimethyl-N-(6-pyridin-2-yloxyquinolin-8-yl)propanamide;2,2-dimethyl-N-quinolin-5-ylpropanamide;N-(4,5-diphenyl-1,3-thiazol-2-yl)-2,2-dimethylpropanamide;N-[6-(4-fluorophenyl)quinolin-8-yl]-2,2-dimethylpropanamide;N-isoquinolin-5-yl-2,2-dimethylpropanamide (PubChem CID 159933138) has the molecular formula C166H174FN21O12S and a molecular weight of 2706.42 g/mol. Its IUPAC name is 11-(2,2-dimethylpropyl)benzo[b][1]benzazepine;2,2-dimethyl-N-[6-(pyridin-2-ylmethoxy)quinolin-8-yl]propanamide;2,2-dimethyl-N-[6-(pyridin-3-ylmethoxy)quinolin-8-yl]propanamide;2,2-dimethyl-N-[6-(pyridin-4-ylmethoxy)quinolin-8-yl]propanamide;2,2-dimethyl-N-(6-pyridin-2-yloxyquinolin-8-yl)propanamide;2,2-dimethyl-N-quinolin-5-ylpropanamide;N-(4,5-diphenyl-1,3-thiazol-2-yl)-2,2-dimethylpropanamide;N-[6-(4-fluorophenyl)quinolin-8-yl]-2,2-dimethylpropanamide;N-isoquinolin-5-yl-2,2-dimethylpropanamide.

Molecular Properties

• Compound Name: 11-(2,2-dimethylpropyl)benzo[b][1]benzazepine;2,2-dimethyl-N-[6-(pyridin-2-ylmethoxy)quinolin-8-yl]propanamide;2,2-dimethyl-N-[6-(pyridin-3-ylmethoxy)quinolin-8-yl]propanamide;2,2-dimethyl-N-[6-(pyridin-4-ylmethoxy)quinolin-8-yl]propanamide;2,2-dimethyl-N-(6-pyridin-2-yloxyquinolin-8-yl)propanamide;2,2-dimethyl-N-quinolin-5-ylpropanamide;N-(4,5-diphenyl-1,3-thiazol-2-yl)-2,2-dimethylpropanamide;N-[6-(4-fluorophenyl)quinolin-8-yl]-2,2-dimethylpropanamide;N-isoquinolin-5-yl-2,2-dimethylpropanamide
• PubChem CID: 159933138
• Molecular Formula: C166H174FN21O12S
• Molecular Weight: 2706.42 g/mol
• Exact Mass: 2704.34
• IUPAC Name: 11-(2,2-dimethylpropyl)benzo[b][1]benzazepine;2,2-dimethyl-N-[6-(pyridin-2-ylmethoxy)quinolin-8-yl]propanamide;2,2-dimethyl-N-[6-(pyridin-3-ylmethoxy)quinolin-8-yl]propanamide;2,2-dimethyl-N-[6-(pyridin-4-ylmethoxy)quinolin-8-yl]propanamide;2,2-dimethyl-N-(6-pyridin-2-yloxyquinolin-8-yl)propanamide;2,2-dimethyl-N-quinolin-5-ylpropanamide;N-(4,5-diphenyl-1,3-thiazol-2-yl)-2,2-dimethylpropanamide;N-[6-(4-fluorophenyl)quinolin-8-yl]-2,2-dimethylpropanamide;N-isoquinolin-5-yl-2,2-dimethylpropanamide
• SMILES: CC(C)(C)C(=O)Nc1cc(-c2ccc(F)cc2)cc2cccnc12.CC(C)(C)C(=O)Nc1cc(OCc2ccccn2)cc2cccnc12.CC(C)(C)C(=O)Nc1cc(OCc2cccnc2)cc2cccnc12.CC(C)(C)C(=O)Nc1cc(OCc2ccncc2)cc2cccnc12.CC(C)(C)C(=O)Nc1cc(Oc2ccccn2)cc2cccnc12.CC(C)(C)C(=O)Nc1cccc2cnccc12.CC(C)(C)C(=O)Nc1cccc2ncccc12.CC(C)(C)C(=O)Nc1nc(-c2ccccc2)c(-c2ccccc2)s1.CC(C)(C)CN1c2ccccc2C=Cc2ccccc21
• InChI: InChI=1S/C20H19FN2O.3C20H21N3O2.C20H20N2OS.C19H19N3O2.C19H21N.2C14H16N2O/c1-20(2,3)19(24)23-17-12-15(13-6-8-16(21)9-7-13)11-14-5-4-10-22-18(14)17;1-20(2,3)19(24)23-17-11-16(10-15-7-5-9-22-18(15)17)25-13-14-6-4-8-21-12-14;1-20(2,3)19(24)23-17-12-16(11-15-5-4-8-22-18(15)17)25-13-14-6-9-21-10-7-14;1-20(2,3)19(24)23-17-12-16(11-14-7-6-10-22-18(14)17)25-13-15-8-4-5-9-21-15;1-20(2,3)18(23)22-19-21-16(14-10-6-4-7-11-14)17(24-19)15-12-8-5-9-13-15;1-19(2,3)18(23)22-15-12-14(24-16-8-4-5-9-20-16)11-13-7-6-10-21-17(13)15;1-19(2,3)14-20-17-10-6-4-8-15(17)12-13-16-9-5-7-11-18(16)20;1-14(2,3)13(17)16-12-8-4-7-11-10(12)6-5-9-15-11;1-14(2,3)13(17)16-12-6-4-5-10-9-15-8-7-11(10)12/h4-12H,1-3H3,(H,23,24);3*4-12H,13H2,1-3H3,(H,23,24);4-13H,1-3H3,(H,21,22,23);4-12H,1-3H3,(H,22,23);4-13H,14H2,1-3H3;2*4-9H,1-3H3,(H,16,17)
• InChIKey: NZWZYSVTUNAFEP-UHFFFAOYSA-N
• XLogP: 39.27
• TPSA: 427.64 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 26
• Rotatable Bonds: 23
• Heavy Atoms: 201
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2706.42
LogP ≤ 5	39.27
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 11-(2,2-dimethylpropyl)benzo[b][1]benzazepine;2,2-dimethyl-N-[6-(pyridin-2-ylmethoxy)quinolin-8-yl]propanamide;2,2-dimethyl-N-[6-(pyridin-3-ylmethoxy)quinolin-8-yl]propanamide;2,2-dimethyl-N-[6-(pyridin-4-ylmethoxy)quinolin-8-yl]propanamide;2,2-dimethyl-N-(6-pyridin-2-yloxyquinolin-8-yl)propanamide;2,2-dimethyl-N-quinolin-5-ylpropanamide;N-(4,5-diphenyl-1,3-thiazol-2-yl)-2,2-dimethylpropanamide;N-[6-(4-fluorophenyl)quinolin-8-yl]-2,2-dimethylpropanamide;N-isoquinolin-5-yl-2,2-dimethylpropanamide?

The IUPAC name of 11-(2,2-dimethylpropyl)benzo[b][1]benzazepine;2,2-dimethyl-N-[6-(pyridin-2-ylmethoxy)quinolin-8-yl]propanamide;2,2-dimethyl-N-[6-(pyridin-3-ylmethoxy)quinolin-8-yl]propanamide;2,2-dimethyl-N-[6-(pyridin-4-ylmethoxy)quinolin-8-yl]propanamide;2,2-dimethyl-N-(6-pyridin-2-yloxyquinolin-8-yl)propanamide;2,2-dimethyl-N-quinolin-5-ylpropanamide;N-(4,5-diphenyl-1,3-thiazol-2-yl)-2,2-dimethylpropanamide;N-[6-(4-fluorophenyl)quinolin-8-yl]-2,2-dimethylpropanamide;N-isoquinolin-5-yl-2,2-dimethylpropanamide (CID 159933138) is 11-(2,2-dimethylpropyl)benzo[b][1]benzazepine;2,2-dimethyl-N-[6-(pyridin-2-ylmethoxy)quinolin-8-yl]propanamide;2,2-dimethyl-N-[6-(pyridin-3-ylmethoxy)quinolin-8-yl]propanamide;2,2-dimethyl-N-[6-(pyridin-4-ylmethoxy)quinolin-8-yl]propanamide;2,2-dimethyl-N-(6-pyridin-2-yloxyquinolin-8-yl)propanamide;2,2-dimethyl-N-quinolin-5-ylpropanamide;N-(4,5-diphenyl-1,3-thiazol-2-yl)-2,2-dimethylpropanamide;N-[6-(4-fluorophenyl)quinolin-8-yl]-2,2-dimethylpropanamide;N-isoquinolin-5-yl-2,2-dimethylpropanamide.

What is the SMILES notation for 11-(2,2-dimethylpropyl)benzo[b][1]benzazepine;2,2-dimethyl-N-[6-(pyridin-2-ylmethoxy)quinolin-8-yl]propanamide;2,2-dimethyl-N-[6-(pyridin-3-ylmethoxy)quinolin-8-yl]propanamide;2,2-dimethyl-N-[6-(pyridin-4-ylmethoxy)quinolin-8-yl]propanamide;2,2-dimethyl-N-(6-pyridin-2-yloxyquinolin-8-yl)propanamide;2,2-dimethyl-N-quinolin-5-ylpropanamide;N-(4,5-diphenyl-1,3-thiazol-2-yl)-2,2-dimethylpropanamide;N-[6-(4-fluorophenyl)quinolin-8-yl]-2,2-dimethylpropanamide;N-isoquinolin-5-yl-2,2-dimethylpropanamide?

The canonical SMILES for 11-(2,2-dimethylpropyl)benzo[b][1]benzazepine;2,2-dimethyl-N-[6-(pyridin-2-ylmethoxy)quinolin-8-yl]propanamide;2,2-dimethyl-N-[6-(pyridin-3-ylmethoxy)quinolin-8-yl]propanamide;2,2-dimethyl-N-[6-(pyridin-4-ylmethoxy)quinolin-8-yl]propanamide;2,2-dimethyl-N-(6-pyridin-2-yloxyquinolin-8-yl)propanamide;2,2-dimethyl-N-quinolin-5-ylpropanamide;N-(4,5-diphenyl-1,3-thiazol-2-yl)-2,2-dimethylpropanamide;N-[6-(4-fluorophenyl)quinolin-8-yl]-2,2-dimethylpropanamide;N-isoquinolin-5-yl-2,2-dimethylpropanamide is CC(C)(C)C(=O)Nc1cc(-c2ccc(F)cc2)cc2cccnc12.CC(C)(C)C(=O)Nc1cc(OCc2ccccn2)cc2cccnc12.CC(C)(C)C(=O)Nc1cc(OCc2cccnc2)cc2cccnc12.CC(C)(C)C(=O)Nc1cc(OCc2ccncc2)cc2cccnc12.CC(C)(C)C(=O)Nc1cc(Oc2ccccn2)cc2cccnc12.CC(C)(C)C(=O)Nc1cccc2cnccc12.CC(C)(C)C(=O)Nc1cccc2ncccc12.CC(C)(C)C(=O)Nc1nc(-c2ccccc2)c(-c2ccccc2)s1.CC(C)(C)CN1c2ccccc2C=Cc2ccccc21.

What is the InChIKey of 11-(2,2-dimethylpropyl)benzo[b][1]benzazepine;2,2-dimethyl-N-[6-(pyridin-2-ylmethoxy)quinolin-8-yl]propanamide;2,2-dimethyl-N-[6-(pyridin-3-ylmethoxy)quinolin-8-yl]propanamide;2,2-dimethyl-N-[6-(pyridin-4-ylmethoxy)quinolin-8-yl]propanamide;2,2-dimethyl-N-(6-pyridin-2-yloxyquinolin-8-yl)propanamide;2,2-dimethyl-N-quinolin-5-ylpropanamide;N-(4,5-diphenyl-1,3-thiazol-2-yl)-2,2-dimethylpropanamide;N-[6-(4-fluorophenyl)quinolin-8-yl]-2,2-dimethylpropanamide;N-isoquinolin-5-yl-2,2-dimethylpropanamide?

The InChIKey is NZWZYSVTUNAFEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN2O.3C20H21N3O2.C20H20N2OS.C19H19N3O2.C19H21N.2C14H16N2O/c1-20(2,3)19(24)23-17-12-15(13-6-8-16(21)9-7-13)11-14-5-4-10-22-18(14)17;1-20(2,3)19(24)23-17-11-16(10-15-7-5-9-22-18(15)17)25-13-14-6-4-8-21-12-14;1-20(2,3)19(24)23-17-12-16(11-15-5-4-8-22-18(15)17)25-13-14-6-9-21-10-7-14;1-20(2,3)19(24)23-17-12-16(11-14-7-6-10-22-18(14)17)25-13-15-8-4-5-9-21-15;1-20(2,3)18(23)22-19-21-16(14-10-6-4-7-11-14)17(24-19)15-12-8-5-9-13-15;1-19(2,3)18(23)22-15-12-14(24-16-8-4-5-9-20-16)11-13-7-6-10-21-17(13)15;1-19(2,3)14-20-17-10-6-4-8-15(17)12-13-16-9-5-7-11-18(16)20;1-14(2,3)13(17)16-12-8-4-7-11-10(12)6-5-9-15-11;1-14(2,3)13(17)16-12-6-4-5-10-9-15-8-7-11(10)12/h4-12H,1-3H3,(H,23,24);3*4-12H,13H2,1-3H3,(H,23,24);4-13H,1-3H3,(H,21,22,23);4-12H,1-3H3,(H,22,23);4-13H,14H2,1-3H3;2*4-9H,1-3H3,(H,16,17).

What are the key properties of 11-(2,2-dimethylpropyl)benzo[b][1]benzazepine;2,2-dimethyl-N-[6-(pyridin-2-ylmethoxy)quinolin-8-yl]propanamide;2,2-dimethyl-N-[6-(pyridin-3-ylmethoxy)quinolin-8-yl]propanamide;2,2-dimethyl-N-[6-(pyridin-4-ylmethoxy)quinolin-8-yl]propanamide;2,2-dimethyl-N-(6-pyridin-2-yloxyquinolin-8-yl)propanamide;2,2-dimethyl-N-quinolin-5-ylpropanamide;N-(4,5-diphenyl-1,3-thiazol-2-yl)-2,2-dimethylpropanamide;N-[6-(4-fluorophenyl)quinolin-8-yl]-2,2-dimethylpropanamide;N-isoquinolin-5-yl-2,2-dimethylpropanamide?

11-(2,2-dimethylpropyl)benzo[b][1]benzazepine;2,2-dimethyl-N-[6-(pyridin-2-ylmethoxy)quinolin-8-yl]propanamide;2,2-dimethyl-N-[6-(pyridin-3-ylmethoxy)quinolin-8-yl]propanamide;2,2-dimethyl-N-[6-(pyridin-4-ylmethoxy)quinolin-8-yl]propanamide;2,2-dimethyl-N-(6-pyridin-2-yloxyquinolin-8-yl)propanamide;2,2-dimethyl-N-quinolin-5-ylpropanamide;N-(4,5-diphenyl-1,3-thiazol-2-yl)-2,2-dimethylpropanamide;N-[6-(4-fluorophenyl)quinolin-8-yl]-2,2-dimethylpropanamide;N-isoquinolin-5-yl-2,2-dimethylpropanamide has a molecular weight of 2706.42 g/mol, XLogP of 39.27, 23 rotatable bonds, 8 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 11-(2,2-dimethylpropyl)benzo[b][1]benzazepine;2,2-dimethyl-N-[6-(pyridin-2-ylmethoxy)quinolin-8-yl]propanamide;2,2-dimethyl-N-[6-(pyridin-3-ylmethoxy)quinolin-8-yl]propanamide;2,2-dimethyl-N-[6-(pyridin-4-ylmethoxy)quinolin-8-yl]propanamide;2,2-dimethyl-N-(6-pyridin-2-yloxyquinolin-8-yl)propanamide;2,2-dimethyl-N-quinolin-5-ylpropanamide;N-(4,5-diphenyl-1,3-thiazol-2-yl)-2,2-dimethylpropanamide;N-[6-(4-fluorophenyl)quinolin-8-yl]-2,2-dimethylpropanamide;N-isoquinolin-5-yl-2,2-dimethylpropanamide is sourced from PubChem (CID 159933138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).