cyclopentyl-[4-[[4-(7-methoxyquinolin-8-yl)-1,4-diazepan-1-yl]methyl]piperidin-1-yl]methanone;3-[2-(4-hydroxy-4-methylpiperidin-1-yl)-1,3-thiazol-4-yl]-3-[4-(7-methoxyquinolin-8-yl)-1,4-diazepan-1-yl]-N-(2-pyrrolidin-1-ylethyl)propanamide;3-[4-(7-methoxyquinolin-8-yl)-1,4-diazepan-1-yl]-N-(oxolan-2-ylmethyl)-3-(1-phenylpyrazol-3-yl)propanamide;3-[4-(7-methoxyquinolin-8-yl)-1,4-diazepan-1-yl]-3-(1-phenylpyrazol-3-yl)-N-(2-piperidin-1-ylethyl)propanamide

C126H166N24O10S — CID 160517579

About cyclopentyl-[4-[[4-(7-methoxyquinolin-8-yl)-1,4-diazepan-1-yl]methyl]piperidin-1-yl]methanone;3-[2-(4-hydroxy-4-methylpiperidin-1-yl)-1,3-thiazol-4-yl]-3-[4-(7-methoxyquinolin-8-yl)-1,4-diazepan-1-yl]-N-(2-pyrrolidin-1-ylethyl)propanamide;3-[4-(7-methoxyquinolin-8-yl)-1,4-diazepan-1-yl]-N-(oxolan-2-ylmethyl)-3-(1-phenylpyrazol-3-yl)propanamide;3-[4-(7-methoxyquinolin-8-yl)-1,4-diazepan-1-yl]-3-(1-phenylpyrazol-3-yl)-N-(2-piperidin-1-ylethyl)propanamide

cyclopentyl-[4-[[4-(7-methoxyquinolin-8-yl)-1,4-diazepan-1-yl]methyl]piperidin-1-yl]methanone;3-[2-(4-hydroxy-4-methylpiperidin-1-yl)-1,3-thiazol-4-yl]-3-[4-(7-methoxyquinolin-8-yl)-1,4-diazepan-1-yl]-N-(2-pyrrolidin-1-ylethyl)propanamide;3-[4-(7-methoxyquinolin-8-yl)-1,4-diazepan-1-yl]-N-(oxolan-2-ylmethyl)-3-(1-phenylpyrazol-3-yl)propanamide;3-[4-(7-methoxyquinolin-8-yl)-1,4-diazepan-1-yl]-3-(1-phenylpyrazol-3-yl)-N-(2-piperidin-1-ylethyl)propanamide (PubChem CID 160517579) has the molecular formula C126H166N24O10S and a molecular weight of 2208.94 g/mol. Its IUPAC name is cyclopentyl-[4-[[4-(7-methoxyquinolin-8-yl)-1,4-diazepan-1-yl]methyl]piperidin-1-yl]methanone;3-[2-(4-hydroxy-4-methylpiperidin-1-yl)-1,3-thiazol-4-yl]-3-[4-(7-methoxyquinolin-8-yl)-1,4-diazepan-1-yl]-N-(2-pyrrolidin-1-ylethyl)propanamide;3-[4-(7-methoxyquinolin-8-yl)-1,4-diazepan-1-yl]-N-(oxolan-2-ylmethyl)-3-(1-phenylpyrazol-3-yl)propanamide;3-[4-(7-methoxyquinolin-8-yl)-1,4-diazepan-1-yl]-3-(1-phenylpyrazol-3-yl)-N-(2-piperidin-1-ylethyl)propanamide.

Molecular Properties

• Compound Name: cyclopentyl-[4-[[4-(7-methoxyquinolin-8-yl)-1,4-diazepan-1-yl]methyl]piperidin-1-yl]methanone;3-[2-(4-hydroxy-4-methylpiperidin-1-yl)-1,3-thiazol-4-yl]-3-[4-(7-methoxyquinolin-8-yl)-1,4-diazepan-1-yl]-N-(2-pyrrolidin-1-ylethyl)propanamide;3-[4-(7-methoxyquinolin-8-yl)-1,4-diazepan-1-yl]-N-(oxolan-2-ylmethyl)-3-(1-phenylpyrazol-3-yl)propanamide;3-[4-(7-methoxyquinolin-8-yl)-1,4-diazepan-1-yl]-3-(1-phenylpyrazol-3-yl)-N-(2-piperidin-1-ylethyl)propanamide
• PubChem CID: 160517579
• Molecular Formula: C126H166N24O10S
• Molecular Weight: 2208.94 g/mol
• Exact Mass: 2207.29
• IUPAC Name: cyclopentyl-[4-[[4-(7-methoxyquinolin-8-yl)-1,4-diazepan-1-yl]methyl]piperidin-1-yl]methanone;3-[2-(4-hydroxy-4-methylpiperidin-1-yl)-1,3-thiazol-4-yl]-3-[4-(7-methoxyquinolin-8-yl)-1,4-diazepan-1-yl]-N-(2-pyrrolidin-1-ylethyl)propanamide;3-[4-(7-methoxyquinolin-8-yl)-1,4-diazepan-1-yl]-N-(oxolan-2-ylmethyl)-3-(1-phenylpyrazol-3-yl)propanamide;3-[4-(7-methoxyquinolin-8-yl)-1,4-diazepan-1-yl]-3-(1-phenylpyrazol-3-yl)-N-(2-piperidin-1-ylethyl)propanamide
• SMILES: COc1ccc2cccnc2c1N1CCCN(C(CC(=O)NCC2CCCO2)c2ccn(-c3ccccc3)n2)CC1.COc1ccc2cccnc2c1N1CCCN(C(CC(=O)NCCN2CCCC2)c2csc(N3CCC(C)(O)CC3)n2)CC1.COc1ccc2cccnc2c1N1CCCN(C(CC(=O)NCCN2CCCCC2)c2ccn(-c3ccccc3)n2)CC1.COc1ccc2cccnc2c1N1CCCN(CC2CCN(C(=O)C3CCCC3)CC2)CC1
• InChI: InChI=1S/C34H43N7O2.C33H47N7O3S.C32H38N6O3.C27H38N4O2/c1-43-31-14-13-27-10-8-16-36-33(27)34(31)40-21-9-20-39(24-25-40)30(26-32(42)35-17-23-38-18-6-3-7-19-38)29-15-22-41(37-29)28-11-4-2-5-12-28;1-33(42)10-18-40(19-11-33)32-36-26(24-44-32)27(23-29(41)34-13-20-37-14-3-4-15-37)38-16-6-17-39(22-21-38)31-28(43-2)9-8-25-7-5-12-35-30(25)31;1-40-29-13-12-24-8-5-15-33-31(24)32(29)37-17-7-16-36(19-20-37)28(22-30(39)34-23-26-11-6-21-41-26)27-14-18-38(35-27)25-9-3-2-4-10-25;1-33-24-10-9-22-8-4-13-28-25(22)26(24)30-15-5-14-29(18-19-30)20-21-11-16-31(17-12-21)27(32)23-6-2-3-7-23/h2,4-5,8,10-16,22,30H,3,6-7,9,17-21,23-26H2,1H3,(H,35,42);5,7-9,12,24,27,42H,3-4,6,10-11,13-23H2,1-2H3,(H,34,41);2-5,8-10,12-15,18,26,28H,6-7,11,16-17,19-23H2,1H3,(H,34,39);4,8-10,13,21,23H,2-3,5-7,11-12,14-20H2,1H3
• InChIKey: QTVUPACZDLGKDO-UHFFFAOYSA-N
• XLogP: 17.13
• TPSA: 309.72 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 31
• Rotatable Bonds: 34
• Heavy Atoms: 161
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2208.94
LogP ≤ 5	17.13
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	31

Frequently Asked Questions

What is the IUPAC name of cyclopentyl-[4-[[4-(7-methoxyquinolin-8-yl)-1,4-diazepan-1-yl]methyl]piperidin-1-yl]methanone;3-[2-(4-hydroxy-4-methylpiperidin-1-yl)-1,3-thiazol-4-yl]-3-[4-(7-methoxyquinolin-8-yl)-1,4-diazepan-1-yl]-N-(2-pyrrolidin-1-ylethyl)propanamide;3-[4-(7-methoxyquinolin-8-yl)-1,4-diazepan-1-yl]-N-(oxolan-2-ylmethyl)-3-(1-phenylpyrazol-3-yl)propanamide;3-[4-(7-methoxyquinolin-8-yl)-1,4-diazepan-1-yl]-3-(1-phenylpyrazol-3-yl)-N-(2-piperidin-1-ylethyl)propanamide?

The IUPAC name of cyclopentyl-[4-[[4-(7-methoxyquinolin-8-yl)-1,4-diazepan-1-yl]methyl]piperidin-1-yl]methanone;3-[2-(4-hydroxy-4-methylpiperidin-1-yl)-1,3-thiazol-4-yl]-3-[4-(7-methoxyquinolin-8-yl)-1,4-diazepan-1-yl]-N-(2-pyrrolidin-1-ylethyl)propanamide;3-[4-(7-methoxyquinolin-8-yl)-1,4-diazepan-1-yl]-N-(oxolan-2-ylmethyl)-3-(1-phenylpyrazol-3-yl)propanamide;3-[4-(7-methoxyquinolin-8-yl)-1,4-diazepan-1-yl]-3-(1-phenylpyrazol-3-yl)-N-(2-piperidin-1-ylethyl)propanamide (CID 160517579) is cyclopentyl-[4-[[4-(7-methoxyquinolin-8-yl)-1,4-diazepan-1-yl]methyl]piperidin-1-yl]methanone;3-[2-(4-hydroxy-4-methylpiperidin-1-yl)-1,3-thiazol-4-yl]-3-[4-(7-methoxyquinolin-8-yl)-1,4-diazepan-1-yl]-N-(2-pyrrolidin-1-ylethyl)propanamide;3-[4-(7-methoxyquinolin-8-yl)-1,4-diazepan-1-yl]-N-(oxolan-2-ylmethyl)-3-(1-phenylpyrazol-3-yl)propanamide;3-[4-(7-methoxyquinolin-8-yl)-1,4-diazepan-1-yl]-3-(1-phenylpyrazol-3-yl)-N-(2-piperidin-1-ylethyl)propanamide.

What is the SMILES notation for cyclopentyl-[4-[[4-(7-methoxyquinolin-8-yl)-1,4-diazepan-1-yl]methyl]piperidin-1-yl]methanone;3-[2-(4-hydroxy-4-methylpiperidin-1-yl)-1,3-thiazol-4-yl]-3-[4-(7-methoxyquinolin-8-yl)-1,4-diazepan-1-yl]-N-(2-pyrrolidin-1-ylethyl)propanamide;3-[4-(7-methoxyquinolin-8-yl)-1,4-diazepan-1-yl]-N-(oxolan-2-ylmethyl)-3-(1-phenylpyrazol-3-yl)propanamide;3-[4-(7-methoxyquinolin-8-yl)-1,4-diazepan-1-yl]-3-(1-phenylpyrazol-3-yl)-N-(2-piperidin-1-ylethyl)propanamide?

The canonical SMILES for cyclopentyl-[4-[[4-(7-methoxyquinolin-8-yl)-1,4-diazepan-1-yl]methyl]piperidin-1-yl]methanone;3-[2-(4-hydroxy-4-methylpiperidin-1-yl)-1,3-thiazol-4-yl]-3-[4-(7-methoxyquinolin-8-yl)-1,4-diazepan-1-yl]-N-(2-pyrrolidin-1-ylethyl)propanamide;3-[4-(7-methoxyquinolin-8-yl)-1,4-diazepan-1-yl]-N-(oxolan-2-ylmethyl)-3-(1-phenylpyrazol-3-yl)propanamide;3-[4-(7-methoxyquinolin-8-yl)-1,4-diazepan-1-yl]-3-(1-phenylpyrazol-3-yl)-N-(2-piperidin-1-ylethyl)propanamide is COc1ccc2cccnc2c1N1CCCN(C(CC(=O)NCC2CCCO2)c2ccn(-c3ccccc3)n2)CC1.COc1ccc2cccnc2c1N1CCCN(C(CC(=O)NCCN2CCCC2)c2csc(N3CCC(C)(O)CC3)n2)CC1.COc1ccc2cccnc2c1N1CCCN(C(CC(=O)NCCN2CCCCC2)c2ccn(-c3ccccc3)n2)CC1.COc1ccc2cccnc2c1N1CCCN(CC2CCN(C(=O)C3CCCC3)CC2)CC1.

What is the InChIKey of cyclopentyl-[4-[[4-(7-methoxyquinolin-8-yl)-1,4-diazepan-1-yl]methyl]piperidin-1-yl]methanone;3-[2-(4-hydroxy-4-methylpiperidin-1-yl)-1,3-thiazol-4-yl]-3-[4-(7-methoxyquinolin-8-yl)-1,4-diazepan-1-yl]-N-(2-pyrrolidin-1-ylethyl)propanamide;3-[4-(7-methoxyquinolin-8-yl)-1,4-diazepan-1-yl]-N-(oxolan-2-ylmethyl)-3-(1-phenylpyrazol-3-yl)propanamide;3-[4-(7-methoxyquinolin-8-yl)-1,4-diazepan-1-yl]-3-(1-phenylpyrazol-3-yl)-N-(2-piperidin-1-ylethyl)propanamide?

The InChIKey is QTVUPACZDLGKDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H43N7O2.C33H47N7O3S.C32H38N6O3.C27H38N4O2/c1-43-31-14-13-27-10-8-16-36-33(27)34(31)40-21-9-20-39(24-25-40)30(26-32(42)35-17-23-38-18-6-3-7-19-38)29-15-22-41(37-29)28-11-4-2-5-12-28;1-33(42)10-18-40(19-11-33)32-36-26(24-44-32)27(23-29(41)34-13-20-37-14-3-4-15-37)38-16-6-17-39(22-21-38)31-28(43-2)9-8-25-7-5-12-35-30(25)31;1-40-29-13-12-24-8-5-15-33-31(24)32(29)37-17-7-16-36(19-20-37)28(22-30(39)34-23-26-11-6-21-41-26)27-14-18-38(35-27)25-9-3-2-4-10-25;1-33-24-10-9-22-8-4-13-28-25(22)26(24)30-15-5-14-29(18-19-30)20-21-11-16-31(17-12-21)27(32)23-6-2-3-7-23/h2,4-5,8,10-16,22,30H,3,6-7,9,17-21,23-26H2,1H3,(H,35,42);5,7-9,12,24,27,42H,3-4,6,10-11,13-23H2,1-2H3,(H,34,41);2-5,8-10,12-15,18,26,28H,6-7,11,16-17,19-23H2,1H3,(H,34,39);4,8-10,13,21,23H,2-3,5-7,11-12,14-20H2,1H3.

What are the key properties of cyclopentyl-[4-[[4-(7-methoxyquinolin-8-yl)-1,4-diazepan-1-yl]methyl]piperidin-1-yl]methanone;3-[2-(4-hydroxy-4-methylpiperidin-1-yl)-1,3-thiazol-4-yl]-3-[4-(7-methoxyquinolin-8-yl)-1,4-diazepan-1-yl]-N-(2-pyrrolidin-1-ylethyl)propanamide;3-[4-(7-methoxyquinolin-8-yl)-1,4-diazepan-1-yl]-N-(oxolan-2-ylmethyl)-3-(1-phenylpyrazol-3-yl)propanamide;3-[4-(7-methoxyquinolin-8-yl)-1,4-diazepan-1-yl]-3-(1-phenylpyrazol-3-yl)-N-(2-piperidin-1-ylethyl)propanamide?

cyclopentyl-[4-[[4-(7-methoxyquinolin-8-yl)-1,4-diazepan-1-yl]methyl]piperidin-1-yl]methanone;3-[2-(4-hydroxy-4-methylpiperidin-1-yl)-1,3-thiazol-4-yl]-3-[4-(7-methoxyquinolin-8-yl)-1,4-diazepan-1-yl]-N-(2-pyrrolidin-1-ylethyl)propanamide;3-[4-(7-methoxyquinolin-8-yl)-1,4-diazepan-1-yl]-N-(oxolan-2-ylmethyl)-3-(1-phenylpyrazol-3-yl)propanamide;3-[4-(7-methoxyquinolin-8-yl)-1,4-diazepan-1-yl]-3-(1-phenylpyrazol-3-yl)-N-(2-piperidin-1-ylethyl)propanamide has a molecular weight of 2208.94 g/mol, XLogP of 17.13, 34 rotatable bonds, 4 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for cyclopentyl-[4-[[4-(7-methoxyquinolin-8-yl)-1,4-diazepan-1-yl]methyl]piperidin-1-yl]methanone;3-[2-(4-hydroxy-4-methylpiperidin-1-yl)-1,3-thiazol-4-yl]-3-[4-(7-methoxyquinolin-8-yl)-1,4-diazepan-1-yl]-N-(2-pyrrolidin-1-ylethyl)propanamide;3-[4-(7-methoxyquinolin-8-yl)-1,4-diazepan-1-yl]-N-(oxolan-2-ylmethyl)-3-(1-phenylpyrazol-3-yl)propanamide;3-[4-(7-methoxyquinolin-8-yl)-1,4-diazepan-1-yl]-3-(1-phenylpyrazol-3-yl)-N-(2-piperidin-1-ylethyl)propanamide is sourced from PubChem (CID 160517579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).