tert-butyl 3-[3-hydroxy-1-[4-(7-methoxyquinolin-8-yl)-1,4-diazepan-1-yl]propyl]piperidine-1-carboxylate;cyclopentyl 4-[[4-(7-methoxyquinolin-8-yl)-1,4-diazepan-1-yl]methyl]piperidine-1-carboxylate;2-[8-[4-[[2-(4-hydroxy-4-methylpiperidin-1-yl)-1,3-thiazol-4-yl]methyl]-1,4-diazepan-1-yl]-6-methylquinolin-7-yl]oxy-N-(2-methoxyethyl)acetamide;3-[2-(4-hydroxypiperidin-1-yl)-1,3-thiazol-4-yl]-3-[4-(7-methoxy-6-methylquinolin-8-yl)-1,4-diazepan-1-yl]-N-(2-pyrrolidin-1-ylethyl)propanamide;4-[4-(7-methoxyquinolin-8-yl)-1,4-diazepan-1-yl]-2-methyl-4-(2-piperidin-1-yl-1,3-thiazol-4-yl)butan-2-ol

C146H208N26O16S3 — CID 161331565

About tert-butyl 3-[3-hydroxy-1-[4-(7-methoxyquinolin-8-yl)-1,4-diazepan-1-yl]propyl]piperidine-1-carboxylate;cyclopentyl 4-[[4-(7-methoxyquinolin-8-yl)-1,4-diazepan-1-yl]methyl]piperidine-1-carboxylate;2-[8-[4-[[2-(4-hydroxy-4-methylpiperidin-1-yl)-1,3-thiazol-4-yl]methyl]-1,4-diazepan-1-yl]-6-methylquinolin-7-yl]oxy-N-(2-methoxyethyl)acetamide;3-[2-(4-hydroxypiperidin-1-yl)-1,3-thiazol-4-yl]-3-[4-(7-methoxy-6-methylquinolin-8-yl)-1,4-diazepan-1-yl]-N-(2-pyrrolidin-1-ylethyl)propanamide;4-[4-(7-methoxyquinolin-8-yl)-1,4-diazepan-1-yl]-2-methyl-4-(2-piperidin-1-yl-1,3-thiazol-4-yl)butan-2-ol

tert-butyl 3-[3-hydroxy-1-[4-(7-methoxyquinolin-8-yl)-1,4-diazepan-1-yl]propyl]piperidine-1-carboxylate;cyclopentyl 4-[[4-(7-methoxyquinolin-8-yl)-1,4-diazepan-1-yl]methyl]piperidine-1-carboxylate;2-[8-[4-[[2-(4-hydroxy-4-methylpiperidin-1-yl)-1,3-thiazol-4-yl]methyl]-1,4-diazepan-1-yl]-6-methylquinolin-7-yl]oxy-N-(2-methoxyethyl)acetamide;3-[2-(4-hydroxypiperidin-1-yl)-1,3-thiazol-4-yl]-3-[4-(7-methoxy-6-methylquinolin-8-yl)-1,4-diazepan-1-yl]-N-(2-pyrrolidin-1-ylethyl)propanamide;4-[4-(7-methoxyquinolin-8-yl)-1,4-diazepan-1-yl]-2-methyl-4-(2-piperidin-1-yl-1,3-thiazol-4-yl)butan-2-ol (PubChem CID 161331565) has the molecular formula C146H208N26O16S3 and a molecular weight of 2679.64 g/mol. Its IUPAC name is tert-butyl 3-[3-hydroxy-1-[4-(7-methoxyquinolin-8-yl)-1,4-diazepan-1-yl]propyl]piperidine-1-carboxylate;cyclopentyl 4-[[4-(7-methoxyquinolin-8-yl)-1,4-diazepan-1-yl]methyl]piperidine-1-carboxylate;2-[8-[4-[[2-(4-hydroxy-4-methylpiperidin-1-yl)-1,3-thiazol-4-yl]methyl]-1,4-diazepan-1-yl]-6-methylquinolin-7-yl]oxy-N-(2-methoxyethyl)acetamide;3-[2-(4-hydroxypiperidin-1-yl)-1,3-thiazol-4-yl]-3-[4-(7-methoxy-6-methylquinolin-8-yl)-1,4-diazepan-1-yl]-N-(2-pyrrolidin-1-ylethyl)propanamide;4-[4-(7-methoxyquinolin-8-yl)-1,4-diazepan-1-yl]-2-methyl-4-(2-piperidin-1-yl-1,3-thiazol-4-yl)butan-2-ol.

Molecular Properties

• Compound Name: tert-butyl 3-[3-hydroxy-1-[4-(7-methoxyquinolin-8-yl)-1,4-diazepan-1-yl]propyl]piperidine-1-carboxylate;cyclopentyl 4-[[4-(7-methoxyquinolin-8-yl)-1,4-diazepan-1-yl]methyl]piperidine-1-carboxylate;2-[8-[4-[[2-(4-hydroxy-4-methylpiperidin-1-yl)-1,3-thiazol-4-yl]methyl]-1,4-diazepan-1-yl]-6-methylquinolin-7-yl]oxy-N-(2-methoxyethyl)acetamide;3-[2-(4-hydroxypiperidin-1-yl)-1,3-thiazol-4-yl]-3-[4-(7-methoxy-6-methylquinolin-8-yl)-1,4-diazepan-1-yl]-N-(2-pyrrolidin-1-ylethyl)propanamide;4-[4-(7-methoxyquinolin-8-yl)-1,4-diazepan-1-yl]-2-methyl-4-(2-piperidin-1-yl-1,3-thiazol-4-yl)butan-2-ol
• PubChem CID: 161331565
• Molecular Formula: C146H208N26O16S3
• Molecular Weight: 2679.64 g/mol
• Exact Mass: 2677.54
• IUPAC Name: tert-butyl 3-[3-hydroxy-1-[4-(7-methoxyquinolin-8-yl)-1,4-diazepan-1-yl]propyl]piperidine-1-carboxylate;cyclopentyl 4-[[4-(7-methoxyquinolin-8-yl)-1,4-diazepan-1-yl]methyl]piperidine-1-carboxylate;2-[8-[4-[[2-(4-hydroxy-4-methylpiperidin-1-yl)-1,3-thiazol-4-yl]methyl]-1,4-diazepan-1-yl]-6-methylquinolin-7-yl]oxy-N-(2-methoxyethyl)acetamide;3-[2-(4-hydroxypiperidin-1-yl)-1,3-thiazol-4-yl]-3-[4-(7-methoxy-6-methylquinolin-8-yl)-1,4-diazepan-1-yl]-N-(2-pyrrolidin-1-ylethyl)propanamide;4-[4-(7-methoxyquinolin-8-yl)-1,4-diazepan-1-yl]-2-methyl-4-(2-piperidin-1-yl-1,3-thiazol-4-yl)butan-2-ol
• SMILES: COCCNC(=O)COc1c(C)cc2cccnc2c1N1CCCN(Cc2csc(N3CCC(C)(O)CC3)n2)CC1.COc1c(C)cc2cccnc2c1N1CCCN(C(CC(=O)NCCN2CCCC2)c2csc(N3CCC(O)CC3)n2)CC1.COc1ccc2cccnc2c1N1CCCN(C(CC(C)(C)O)c2csc(N3CCCCC3)n2)CC1.COc1ccc2cccnc2c1N1CCCN(C(CCO)C2CCCN(C(=O)OC(C)(C)C)C2)CC1.COc1ccc2cccnc2c1N1CCCN(CC2CCN(C(=O)OC3CCCC3)CC2)CC1
• InChI: InChI=1S/C33H47N7O3S.C30H42N6O4S.C28H39N5O2S.C28H42N4O4.C27H38N4O3/c1-24-21-25-7-5-10-35-30(25)31(32(24)43-2)39-15-6-14-38(19-20-39)28(22-29(42)34-11-18-37-12-3-4-13-37)27-23-44-33(36-27)40-16-8-26(41)9-17-40;1-22-18-23-6-4-9-32-26(23)27(28(22)40-20-25(37)31-10-17-39-3)35-12-5-11-34(15-16-35)19-24-21-41-29(33-24)36-13-7-30(2,38)8-14-36;1-28(2,34)19-23(22-20-36-27(30-22)33-13-5-4-6-14-33)31-15-8-16-32(18-17-31)26-24(35-3)11-10-21-9-7-12-29-25(21)26;1-28(2,3)36-27(34)32-14-6-9-22(20-32)23(12-19-33)30-15-7-16-31(18-17-30)26-24(35-4)11-10-21-8-5-13-29-25(21)26;1-33-24-10-9-22-6-4-13-28-25(22)26(24)30-15-5-14-29(18-19-30)20-21-11-16-31(17-12-21)27(32)34-23-7-2-3-8-23/h5,7,10,21,23,26,28,41H,3-4,6,8-9,11-20,22H2,1-2H3,(H,34,42);4,6,9,18,21,38H,5,7-8,10-17,19-20H2,1-3H3,(H,31,37);7,9-12,20,23,34H,4-6,8,13-19H2,1-3H3;5,8,10-11,13,22-23,33H,6-7,9,12,14-20H2,1-4H3;4,6,9-10,13,21,23H,2-3,5,7-8,11-12,14-20H2,1H3
• InChIKey: VLMHVTRDXABBFW-UHFFFAOYSA-N
• XLogP: 20.83
• TPSA: 402.06 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 41
• Rotatable Bonds: 38
• Heavy Atoms: 191
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2679.64
LogP ≤ 5	20.83
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	41

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[3-hydroxy-1-[4-(7-methoxyquinolin-8-yl)-1,4-diazepan-1-yl]propyl]piperidine-1-carboxylate;cyclopentyl 4-[[4-(7-methoxyquinolin-8-yl)-1,4-diazepan-1-yl]methyl]piperidine-1-carboxylate;2-[8-[4-[[2-(4-hydroxy-4-methylpiperidin-1-yl)-1,3-thiazol-4-yl]methyl]-1,4-diazepan-1-yl]-6-methylquinolin-7-yl]oxy-N-(2-methoxyethyl)acetamide;3-[2-(4-hydroxypiperidin-1-yl)-1,3-thiazol-4-yl]-3-[4-(7-methoxy-6-methylquinolin-8-yl)-1,4-diazepan-1-yl]-N-(2-pyrrolidin-1-ylethyl)propanamide;4-[4-(7-methoxyquinolin-8-yl)-1,4-diazepan-1-yl]-2-methyl-4-(2-piperidin-1-yl-1,3-thiazol-4-yl)butan-2-ol?

The IUPAC name of tert-butyl 3-[3-hydroxy-1-[4-(7-methoxyquinolin-8-yl)-1,4-diazepan-1-yl]propyl]piperidine-1-carboxylate;cyclopentyl 4-[[4-(7-methoxyquinolin-8-yl)-1,4-diazepan-1-yl]methyl]piperidine-1-carboxylate;2-[8-[4-[[2-(4-hydroxy-4-methylpiperidin-1-yl)-1,3-thiazol-4-yl]methyl]-1,4-diazepan-1-yl]-6-methylquinolin-7-yl]oxy-N-(2-methoxyethyl)acetamide;3-[2-(4-hydroxypiperidin-1-yl)-1,3-thiazol-4-yl]-3-[4-(7-methoxy-6-methylquinolin-8-yl)-1,4-diazepan-1-yl]-N-(2-pyrrolidin-1-ylethyl)propanamide;4-[4-(7-methoxyquinolin-8-yl)-1,4-diazepan-1-yl]-2-methyl-4-(2-piperidin-1-yl-1,3-thiazol-4-yl)butan-2-ol (CID 161331565) is tert-butyl 3-[3-hydroxy-1-[4-(7-methoxyquinolin-8-yl)-1,4-diazepan-1-yl]propyl]piperidine-1-carboxylate;cyclopentyl 4-[[4-(7-methoxyquinolin-8-yl)-1,4-diazepan-1-yl]methyl]piperidine-1-carboxylate;2-[8-[4-[[2-(4-hydroxy-4-methylpiperidin-1-yl)-1,3-thiazol-4-yl]methyl]-1,4-diazepan-1-yl]-6-methylquinolin-7-yl]oxy-N-(2-methoxyethyl)acetamide;3-[2-(4-hydroxypiperidin-1-yl)-1,3-thiazol-4-yl]-3-[4-(7-methoxy-6-methylquinolin-8-yl)-1,4-diazepan-1-yl]-N-(2-pyrrolidin-1-ylethyl)propanamide;4-[4-(7-methoxyquinolin-8-yl)-1,4-diazepan-1-yl]-2-methyl-4-(2-piperidin-1-yl-1,3-thiazol-4-yl)butan-2-ol.

What is the SMILES notation for tert-butyl 3-[3-hydroxy-1-[4-(7-methoxyquinolin-8-yl)-1,4-diazepan-1-yl]propyl]piperidine-1-carboxylate;cyclopentyl 4-[[4-(7-methoxyquinolin-8-yl)-1,4-diazepan-1-yl]methyl]piperidine-1-carboxylate;2-[8-[4-[[2-(4-hydroxy-4-methylpiperidin-1-yl)-1,3-thiazol-4-yl]methyl]-1,4-diazepan-1-yl]-6-methylquinolin-7-yl]oxy-N-(2-methoxyethyl)acetamide;3-[2-(4-hydroxypiperidin-1-yl)-1,3-thiazol-4-yl]-3-[4-(7-methoxy-6-methylquinolin-8-yl)-1,4-diazepan-1-yl]-N-(2-pyrrolidin-1-ylethyl)propanamide;4-[4-(7-methoxyquinolin-8-yl)-1,4-diazepan-1-yl]-2-methyl-4-(2-piperidin-1-yl-1,3-thiazol-4-yl)butan-2-ol?

The canonical SMILES for tert-butyl 3-[3-hydroxy-1-[4-(7-methoxyquinolin-8-yl)-1,4-diazepan-1-yl]propyl]piperidine-1-carboxylate;cyclopentyl 4-[[4-(7-methoxyquinolin-8-yl)-1,4-diazepan-1-yl]methyl]piperidine-1-carboxylate;2-[8-[4-[[2-(4-hydroxy-4-methylpiperidin-1-yl)-1,3-thiazol-4-yl]methyl]-1,4-diazepan-1-yl]-6-methylquinolin-7-yl]oxy-N-(2-methoxyethyl)acetamide;3-[2-(4-hydroxypiperidin-1-yl)-1,3-thiazol-4-yl]-3-[4-(7-methoxy-6-methylquinolin-8-yl)-1,4-diazepan-1-yl]-N-(2-pyrrolidin-1-ylethyl)propanamide;4-[4-(7-methoxyquinolin-8-yl)-1,4-diazepan-1-yl]-2-methyl-4-(2-piperidin-1-yl-1,3-thiazol-4-yl)butan-2-ol is COCCNC(=O)COc1c(C)cc2cccnc2c1N1CCCN(Cc2csc(N3CCC(C)(O)CC3)n2)CC1.COc1c(C)cc2cccnc2c1N1CCCN(C(CC(=O)NCCN2CCCC2)c2csc(N3CCC(O)CC3)n2)CC1.COc1ccc2cccnc2c1N1CCCN(C(CC(C)(C)O)c2csc(N3CCCCC3)n2)CC1.COc1ccc2cccnc2c1N1CCCN(C(CCO)C2CCCN(C(=O)OC(C)(C)C)C2)CC1.COc1ccc2cccnc2c1N1CCCN(CC2CCN(C(=O)OC3CCCC3)CC2)CC1.

What is the InChIKey of tert-butyl 3-[3-hydroxy-1-[4-(7-methoxyquinolin-8-yl)-1,4-diazepan-1-yl]propyl]piperidine-1-carboxylate;cyclopentyl 4-[[4-(7-methoxyquinolin-8-yl)-1,4-diazepan-1-yl]methyl]piperidine-1-carboxylate;2-[8-[4-[[2-(4-hydroxy-4-methylpiperidin-1-yl)-1,3-thiazol-4-yl]methyl]-1,4-diazepan-1-yl]-6-methylquinolin-7-yl]oxy-N-(2-methoxyethyl)acetamide;3-[2-(4-hydroxypiperidin-1-yl)-1,3-thiazol-4-yl]-3-[4-(7-methoxy-6-methylquinolin-8-yl)-1,4-diazepan-1-yl]-N-(2-pyrrolidin-1-ylethyl)propanamide;4-[4-(7-methoxyquinolin-8-yl)-1,4-diazepan-1-yl]-2-methyl-4-(2-piperidin-1-yl-1,3-thiazol-4-yl)butan-2-ol?

The InChIKey is VLMHVTRDXABBFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H47N7O3S.C30H42N6O4S.C28H39N5O2S.C28H42N4O4.C27H38N4O3/c1-24-21-25-7-5-10-35-30(25)31(32(24)43-2)39-15-6-14-38(19-20-39)28(22-29(42)34-11-18-37-12-3-4-13-37)27-23-44-33(36-27)40-16-8-26(41)9-17-40;1-22-18-23-6-4-9-32-26(23)27(28(22)40-20-25(37)31-10-17-39-3)35-12-5-11-34(15-16-35)19-24-21-41-29(33-24)36-13-7-30(2,38)8-14-36;1-28(2,34)19-23(22-20-36-27(30-22)33-13-5-4-6-14-33)31-15-8-16-32(18-17-31)26-24(35-3)11-10-21-9-7-12-29-25(21)26;1-28(2,3)36-27(34)32-14-6-9-22(20-32)23(12-19-33)30-15-7-16-31(18-17-30)26-24(35-4)11-10-21-8-5-13-29-25(21)26;1-33-24-10-9-22-6-4-13-28-25(22)26(24)30-15-5-14-29(18-19-30)20-21-11-16-31(17-12-21)27(32)34-23-7-2-3-8-23/h5,7,10,21,23,26,28,41H,3-4,6,8-9,11-20,22H2,1-2H3,(H,34,42);4,6,9,18,21,38H,5,7-8,10-17,19-20H2,1-3H3,(H,31,37);7,9-12,20,23,34H,4-6,8,13-19H2,1-3H3;5,8,10-11,13,22-23,33H,6-7,9,12,14-20H2,1-4H3;4,6,9-10,13,21,23H,2-3,5,7-8,11-12,14-20H2,1H3.

What are the key properties of tert-butyl 3-[3-hydroxy-1-[4-(7-methoxyquinolin-8-yl)-1,4-diazepan-1-yl]propyl]piperidine-1-carboxylate;cyclopentyl 4-[[4-(7-methoxyquinolin-8-yl)-1,4-diazepan-1-yl]methyl]piperidine-1-carboxylate;2-[8-[4-[[2-(4-hydroxy-4-methylpiperidin-1-yl)-1,3-thiazol-4-yl]methyl]-1,4-diazepan-1-yl]-6-methylquinolin-7-yl]oxy-N-(2-methoxyethyl)acetamide;3-[2-(4-hydroxypiperidin-1-yl)-1,3-thiazol-4-yl]-3-[4-(7-methoxy-6-methylquinolin-8-yl)-1,4-diazepan-1-yl]-N-(2-pyrrolidin-1-ylethyl)propanamide;4-[4-(7-methoxyquinolin-8-yl)-1,4-diazepan-1-yl]-2-methyl-4-(2-piperidin-1-yl-1,3-thiazol-4-yl)butan-2-ol?

tert-butyl 3-[3-hydroxy-1-[4-(7-methoxyquinolin-8-yl)-1,4-diazepan-1-yl]propyl]piperidine-1-carboxylate;cyclopentyl 4-[[4-(7-methoxyquinolin-8-yl)-1,4-diazepan-1-yl]methyl]piperidine-1-carboxylate;2-[8-[4-[[2-(4-hydroxy-4-methylpiperidin-1-yl)-1,3-thiazol-4-yl]methyl]-1,4-diazepan-1-yl]-6-methylquinolin-7-yl]oxy-N-(2-methoxyethyl)acetamide;3-[2-(4-hydroxypiperidin-1-yl)-1,3-thiazol-4-yl]-3-[4-(7-methoxy-6-methylquinolin-8-yl)-1,4-diazepan-1-yl]-N-(2-pyrrolidin-1-ylethyl)propanamide;4-[4-(7-methoxyquinolin-8-yl)-1,4-diazepan-1-yl]-2-methyl-4-(2-piperidin-1-yl-1,3-thiazol-4-yl)butan-2-ol has a molecular weight of 2679.64 g/mol, XLogP of 20.83, 38 rotatable bonds, 6 hydrogen bond donors, and 41 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 3-[3-hydroxy-1-[4-(7-methoxyquinolin-8-yl)-1,4-diazepan-1-yl]propyl]piperidine-1-carboxylate;cyclopentyl 4-[[4-(7-methoxyquinolin-8-yl)-1,4-diazepan-1-yl]methyl]piperidine-1-carboxylate;2-[8-[4-[[2-(4-hydroxy-4-methylpiperidin-1-yl)-1,3-thiazol-4-yl]methyl]-1,4-diazepan-1-yl]-6-methylquinolin-7-yl]oxy-N-(2-methoxyethyl)acetamide;3-[2-(4-hydroxypiperidin-1-yl)-1,3-thiazol-4-yl]-3-[4-(7-methoxy-6-methylquinolin-8-yl)-1,4-diazepan-1-yl]-N-(2-pyrrolidin-1-ylethyl)propanamide;4-[4-(7-methoxyquinolin-8-yl)-1,4-diazepan-1-yl]-2-methyl-4-(2-piperidin-1-yl-1,3-thiazol-4-yl)butan-2-ol is sourced from PubChem (CID 161331565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).