cyclohexyl-[4-[[4-(7-methoxyquinolin-8-yl)-1,4-diazepan-1-yl]methyl]piperidin-1-yl]methanone;cyclopentyl-[3-[1-[4-(7-methoxyquinolin-8-yl)-1,4-diazepan-1-yl]butyl]piperidin-1-yl]methanone;ethyl 3-[[3-[4-(7-methoxyquinolin-8-yl)-1,4-diazepan-1-yl]-3-(1-phenylpyrazol-3-yl)propanoyl]amino]propanoate;3-[4-(7-methoxyquinolin-8-yl)-1,4-diazepan-1-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]-3-(1-phenylpyrazol-3-yl)propanamide

C124H163N21O11 — CID 161314472

About cyclohexyl-[4-[[4-(7-methoxyquinolin-8-yl)-1,4-diazepan-1-yl]methyl]piperidin-1-yl]methanone;cyclopentyl-[3-[1-[4-(7-methoxyquinolin-8-yl)-1,4-diazepan-1-yl]butyl]piperidin-1-yl]methanone;ethyl 3-[[3-[4-(7-methoxyquinolin-8-yl)-1,4-diazepan-1-yl]-3-(1-phenylpyrazol-3-yl)propanoyl]amino]propanoate;3-[4-(7-methoxyquinolin-8-yl)-1,4-diazepan-1-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]-3-(1-phenylpyrazol-3-yl)propanamide

cyclohexyl-[4-[[4-(7-methoxyquinolin-8-yl)-1,4-diazepan-1-yl]methyl]piperidin-1-yl]methanone;cyclopentyl-[3-[1-[4-(7-methoxyquinolin-8-yl)-1,4-diazepan-1-yl]butyl]piperidin-1-yl]methanone;ethyl 3-[[3-[4-(7-methoxyquinolin-8-yl)-1,4-diazepan-1-yl]-3-(1-phenylpyrazol-3-yl)propanoyl]amino]propanoate;3-[4-(7-methoxyquinolin-8-yl)-1,4-diazepan-1-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]-3-(1-phenylpyrazol-3-yl)propanamide (PubChem CID 161314472) has the molecular formula C124H163N21O11 and a molecular weight of 2123.80 g/mol. Its IUPAC name is cyclohexyl-[4-[[4-(7-methoxyquinolin-8-yl)-1,4-diazepan-1-yl]methyl]piperidin-1-yl]methanone;cyclopentyl-[3-[1-[4-(7-methoxyquinolin-8-yl)-1,4-diazepan-1-yl]butyl]piperidin-1-yl]methanone;ethyl 3-[[3-[4-(7-methoxyquinolin-8-yl)-1,4-diazepan-1-yl]-3-(1-phenylpyrazol-3-yl)propanoyl]amino]propanoate;3-[4-(7-methoxyquinolin-8-yl)-1,4-diazepan-1-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]-3-(1-phenylpyrazol-3-yl)propanamide.

Molecular Properties

• Compound Name: cyclohexyl-[4-[[4-(7-methoxyquinolin-8-yl)-1,4-diazepan-1-yl]methyl]piperidin-1-yl]methanone;cyclopentyl-[3-[1-[4-(7-methoxyquinolin-8-yl)-1,4-diazepan-1-yl]butyl]piperidin-1-yl]methanone;ethyl 3-[[3-[4-(7-methoxyquinolin-8-yl)-1,4-diazepan-1-yl]-3-(1-phenylpyrazol-3-yl)propanoyl]amino]propanoate;3-[4-(7-methoxyquinolin-8-yl)-1,4-diazepan-1-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]-3-(1-phenylpyrazol-3-yl)propanamide
• PubChem CID: 161314472
• Molecular Formula: C124H163N21O11
• Molecular Weight: 2123.80 g/mol
• Exact Mass: 2122.28
• IUPAC Name: cyclohexyl-[4-[[4-(7-methoxyquinolin-8-yl)-1,4-diazepan-1-yl]methyl]piperidin-1-yl]methanone;cyclopentyl-[3-[1-[4-(7-methoxyquinolin-8-yl)-1,4-diazepan-1-yl]butyl]piperidin-1-yl]methanone;ethyl 3-[[3-[4-(7-methoxyquinolin-8-yl)-1,4-diazepan-1-yl]-3-(1-phenylpyrazol-3-yl)propanoyl]amino]propanoate;3-[4-(7-methoxyquinolin-8-yl)-1,4-diazepan-1-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]-3-(1-phenylpyrazol-3-yl)propanamide
• SMILES: CCCC(C1CCCN(C(=O)C2CCCC2)C1)N1CCCN(c2c(OC)ccc3cccnc23)CC1.CCOC(=O)CCNC(=O)CC(c1ccn(-c2ccccc2)n1)N1CCCN(c2c(OC)ccc3cccnc23)CC1.COc1ccc2cccnc2c1N1CCCN(C(CC(=O)NCCCN2CCCC2=O)c2ccn(-c3ccccc3)n2)CC1.COc1ccc2cccnc2c1N1CCCN(CC2CCN(C(=O)C3CCCCC3)CC2)CC1
• InChI: InChI=1S/C34H41N7O3.C32H38N6O4.C30H44N4O2.C28H40N4O2/c1-44-30-14-13-26-9-5-16-36-33(26)34(30)40-21-8-20-38(23-24-40)29(28-15-22-41(37-28)27-10-3-2-4-11-27)25-31(42)35-17-7-19-39-18-6-12-32(39)43;1-3-42-30(40)14-17-33-29(39)23-27(26-15-20-38(35-26)25-10-5-4-6-11-25)36-18-8-19-37(22-21-36)32-28(41-2)13-12-24-9-7-16-34-31(24)32;1-3-9-26(25-13-7-17-34(22-25)30(35)24-10-4-5-11-24)32-18-8-19-33(21-20-32)29-27(36-2)15-14-23-12-6-16-31-28(23)29;1-34-25-11-10-23-9-5-14-29-26(23)27(25)31-16-6-15-30(19-20-31)21-22-12-17-32(18-13-22)28(33)24-7-3-2-4-8-24/h2-5,9-11,13-16,22,29H,6-8,12,17-21,23-25H2,1H3,(H,35,42);4-7,9-13,15-16,20,27H,3,8,14,17-19,21-23H2,1-2H3,(H,33,39);6,12,14-16,24-26H,3-5,7-11,13,17-22H2,1-2H3;5,9-11,14,22,24H,2-4,6-8,12-13,15-21H2,1H3
• InChIKey: VJHXJYOHVBBCHB-UHFFFAOYSA-N
• XLogP: 18.27
• TPSA: 295.47 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 27
• Rotatable Bonds: 34
• Heavy Atoms: 156
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2123.80
LogP ≤ 5	18.27
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of cyclohexyl-[4-[[4-(7-methoxyquinolin-8-yl)-1,4-diazepan-1-yl]methyl]piperidin-1-yl]methanone;cyclopentyl-[3-[1-[4-(7-methoxyquinolin-8-yl)-1,4-diazepan-1-yl]butyl]piperidin-1-yl]methanone;ethyl 3-[[3-[4-(7-methoxyquinolin-8-yl)-1,4-diazepan-1-yl]-3-(1-phenylpyrazol-3-yl)propanoyl]amino]propanoate;3-[4-(7-methoxyquinolin-8-yl)-1,4-diazepan-1-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]-3-(1-phenylpyrazol-3-yl)propanamide?

The IUPAC name of cyclohexyl-[4-[[4-(7-methoxyquinolin-8-yl)-1,4-diazepan-1-yl]methyl]piperidin-1-yl]methanone;cyclopentyl-[3-[1-[4-(7-methoxyquinolin-8-yl)-1,4-diazepan-1-yl]butyl]piperidin-1-yl]methanone;ethyl 3-[[3-[4-(7-methoxyquinolin-8-yl)-1,4-diazepan-1-yl]-3-(1-phenylpyrazol-3-yl)propanoyl]amino]propanoate;3-[4-(7-methoxyquinolin-8-yl)-1,4-diazepan-1-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]-3-(1-phenylpyrazol-3-yl)propanamide (CID 161314472) is cyclohexyl-[4-[[4-(7-methoxyquinolin-8-yl)-1,4-diazepan-1-yl]methyl]piperidin-1-yl]methanone;cyclopentyl-[3-[1-[4-(7-methoxyquinolin-8-yl)-1,4-diazepan-1-yl]butyl]piperidin-1-yl]methanone;ethyl 3-[[3-[4-(7-methoxyquinolin-8-yl)-1,4-diazepan-1-yl]-3-(1-phenylpyrazol-3-yl)propanoyl]amino]propanoate;3-[4-(7-methoxyquinolin-8-yl)-1,4-diazepan-1-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]-3-(1-phenylpyrazol-3-yl)propanamide.

What is the SMILES notation for cyclohexyl-[4-[[4-(7-methoxyquinolin-8-yl)-1,4-diazepan-1-yl]methyl]piperidin-1-yl]methanone;cyclopentyl-[3-[1-[4-(7-methoxyquinolin-8-yl)-1,4-diazepan-1-yl]butyl]piperidin-1-yl]methanone;ethyl 3-[[3-[4-(7-methoxyquinolin-8-yl)-1,4-diazepan-1-yl]-3-(1-phenylpyrazol-3-yl)propanoyl]amino]propanoate;3-[4-(7-methoxyquinolin-8-yl)-1,4-diazepan-1-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]-3-(1-phenylpyrazol-3-yl)propanamide?

The canonical SMILES for cyclohexyl-[4-[[4-(7-methoxyquinolin-8-yl)-1,4-diazepan-1-yl]methyl]piperidin-1-yl]methanone;cyclopentyl-[3-[1-[4-(7-methoxyquinolin-8-yl)-1,4-diazepan-1-yl]butyl]piperidin-1-yl]methanone;ethyl 3-[[3-[4-(7-methoxyquinolin-8-yl)-1,4-diazepan-1-yl]-3-(1-phenylpyrazol-3-yl)propanoyl]amino]propanoate;3-[4-(7-methoxyquinolin-8-yl)-1,4-diazepan-1-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]-3-(1-phenylpyrazol-3-yl)propanamide is CCCC(C1CCCN(C(=O)C2CCCC2)C1)N1CCCN(c2c(OC)ccc3cccnc23)CC1.CCOC(=O)CCNC(=O)CC(c1ccn(-c2ccccc2)n1)N1CCCN(c2c(OC)ccc3cccnc23)CC1.COc1ccc2cccnc2c1N1CCCN(C(CC(=O)NCCCN2CCCC2=O)c2ccn(-c3ccccc3)n2)CC1.COc1ccc2cccnc2c1N1CCCN(CC2CCN(C(=O)C3CCCCC3)CC2)CC1.

What is the InChIKey of cyclohexyl-[4-[[4-(7-methoxyquinolin-8-yl)-1,4-diazepan-1-yl]methyl]piperidin-1-yl]methanone;cyclopentyl-[3-[1-[4-(7-methoxyquinolin-8-yl)-1,4-diazepan-1-yl]butyl]piperidin-1-yl]methanone;ethyl 3-[[3-[4-(7-methoxyquinolin-8-yl)-1,4-diazepan-1-yl]-3-(1-phenylpyrazol-3-yl)propanoyl]amino]propanoate;3-[4-(7-methoxyquinolin-8-yl)-1,4-diazepan-1-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]-3-(1-phenylpyrazol-3-yl)propanamide?

The InChIKey is VJHXJYOHVBBCHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H41N7O3.C32H38N6O4.C30H44N4O2.C28H40N4O2/c1-44-30-14-13-26-9-5-16-36-33(26)34(30)40-21-8-20-38(23-24-40)29(28-15-22-41(37-28)27-10-3-2-4-11-27)25-31(42)35-17-7-19-39-18-6-12-32(39)43;1-3-42-30(40)14-17-33-29(39)23-27(26-15-20-38(35-26)25-10-5-4-6-11-25)36-18-8-19-37(22-21-36)32-28(41-2)13-12-24-9-7-16-34-31(24)32;1-3-9-26(25-13-7-17-34(22-25)30(35)24-10-4-5-11-24)32-18-8-19-33(21-20-32)29-27(36-2)15-14-23-12-6-16-31-28(23)29;1-34-25-11-10-23-9-5-14-29-26(23)27(25)31-16-6-15-30(19-20-31)21-22-12-17-32(18-13-22)28(33)24-7-3-2-4-8-24/h2-5,9-11,13-16,22,29H,6-8,12,17-21,23-25H2,1H3,(H,35,42);4-7,9-13,15-16,20,27H,3,8,14,17-19,21-23H2,1-2H3,(H,33,39);6,12,14-16,24-26H,3-5,7-11,13,17-22H2,1-2H3;5,9-11,14,22,24H,2-4,6-8,12-13,15-21H2,1H3.

What are the key properties of cyclohexyl-[4-[[4-(7-methoxyquinolin-8-yl)-1,4-diazepan-1-yl]methyl]piperidin-1-yl]methanone;cyclopentyl-[3-[1-[4-(7-methoxyquinolin-8-yl)-1,4-diazepan-1-yl]butyl]piperidin-1-yl]methanone;ethyl 3-[[3-[4-(7-methoxyquinolin-8-yl)-1,4-diazepan-1-yl]-3-(1-phenylpyrazol-3-yl)propanoyl]amino]propanoate;3-[4-(7-methoxyquinolin-8-yl)-1,4-diazepan-1-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]-3-(1-phenylpyrazol-3-yl)propanamide?

cyclohexyl-[4-[[4-(7-methoxyquinolin-8-yl)-1,4-diazepan-1-yl]methyl]piperidin-1-yl]methanone;cyclopentyl-[3-[1-[4-(7-methoxyquinolin-8-yl)-1,4-diazepan-1-yl]butyl]piperidin-1-yl]methanone;ethyl 3-[[3-[4-(7-methoxyquinolin-8-yl)-1,4-diazepan-1-yl]-3-(1-phenylpyrazol-3-yl)propanoyl]amino]propanoate;3-[4-(7-methoxyquinolin-8-yl)-1,4-diazepan-1-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]-3-(1-phenylpyrazol-3-yl)propanamide has a molecular weight of 2123.80 g/mol, XLogP of 18.27, 34 rotatable bonds, 2 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for cyclohexyl-[4-[[4-(7-methoxyquinolin-8-yl)-1,4-diazepan-1-yl]methyl]piperidin-1-yl]methanone;cyclopentyl-[3-[1-[4-(7-methoxyquinolin-8-yl)-1,4-diazepan-1-yl]butyl]piperidin-1-yl]methanone;ethyl 3-[[3-[4-(7-methoxyquinolin-8-yl)-1,4-diazepan-1-yl]-3-(1-phenylpyrazol-3-yl)propanoyl]amino]propanoate;3-[4-(7-methoxyquinolin-8-yl)-1,4-diazepan-1-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]-3-(1-phenylpyrazol-3-yl)propanamide is sourced from PubChem (CID 161314472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).