N-[2-(dimethylamino)ethyl]-3-[4-(7-methoxyquinolin-8-yl)-1,4-diazepan-1-yl]-3-(2-morpholin-4-yl-1,3-thiazol-4-yl)propanamide;2-hydroxy-1-[4-[[4-(7-methoxyquinolin-8-yl)-1,4-diazepan-1-yl]methyl]piperidin-1-yl]-2-methylpropan-1-one;methane;1-[1-[4-[[4-(7-methoxyquinolin-8-yl)-1,4-diazepan-1-yl]methyl]-1,3-thiazol-2-yl]piperidin-4-yl]ethanone;3-[4-(7-methoxyquinolin-8-yl)-1,4-diazepan-1-yl]-3-(2-morpholin-4-yl-1,3-thiazol-4-yl)-N-(3-pyrrolidin-1-ylpropyl)propanamide;3-[4-(7-methoxyquinolin-8-yl)-1,4-diazepan-1-yl]-3-[2-(oxan-4-yl)-1,3-thiazol-4-yl]propanamide

C140H196N28O14S4 — CID 157156826

About N-[2-(dimethylamino)ethyl]-3-[4-(7-methoxyquinolin-8-yl)-1,4-diazepan-1-yl]-3-(2-morpholin-4-yl-1,3-thiazol-4-yl)propanamide;2-hydroxy-1-[4-[[4-(7-methoxyquinolin-8-yl)-1,4-diazepan-1-yl]methyl]piperidin-1-yl]-2-methylpropan-1-one;methane;1-[1-[4-[[4-(7-methoxyquinolin-8-yl)-1,4-diazepan-1-yl]methyl]-1,3-thiazol-2-yl]piperidin-4-yl]ethanone;3-[4-(7-methoxyquinolin-8-yl)-1,4-diazepan-1-yl]-3-(2-morpholin-4-yl-1,3-thiazol-4-yl)-N-(3-pyrrolidin-1-ylpropyl)propanamide;3-[4-(7-methoxyquinolin-8-yl)-1,4-diazepan-1-yl]-3-[2-(oxan-4-yl)-1,3-thiazol-4-yl]propanamide

N-[2-(dimethylamino)ethyl]-3-[4-(7-methoxyquinolin-8-yl)-1,4-diazepan-1-yl]-3-(2-morpholin-4-yl-1,3-thiazol-4-yl)propanamide;2-hydroxy-1-[4-[[4-(7-methoxyquinolin-8-yl)-1,4-diazepan-1-yl]methyl]piperidin-1-yl]-2-methylpropan-1-one;methane;1-[1-[4-[[4-(7-methoxyquinolin-8-yl)-1,4-diazepan-1-yl]methyl]-1,3-thiazol-2-yl]piperidin-4-yl]ethanone;3-[4-(7-methoxyquinolin-8-yl)-1,4-diazepan-1-yl]-3-(2-morpholin-4-yl-1,3-thiazol-4-yl)-N-(3-pyrrolidin-1-ylpropyl)propanamide;3-[4-(7-methoxyquinolin-8-yl)-1,4-diazepan-1-yl]-3-[2-(oxan-4-yl)-1,3-thiazol-4-yl]propanamide (PubChem CID 157156826) has the molecular formula C140H196N28O14S4 and a molecular weight of 2623.56 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-3-[4-(7-methoxyquinolin-8-yl)-1,4-diazepan-1-yl]-3-(2-morpholin-4-yl-1,3-thiazol-4-yl)propanamide;2-hydroxy-1-[4-[[4-(7-methoxyquinolin-8-yl)-1,4-diazepan-1-yl]methyl]piperidin-1-yl]-2-methylpropan-1-one;methane;1-[1-[4-[[4-(7-methoxyquinolin-8-yl)-1,4-diazepan-1-yl]methyl]-1,3-thiazol-2-yl]piperidin-4-yl]ethanone;3-[4-(7-methoxyquinolin-8-yl)-1,4-diazepan-1-yl]-3-(2-morpholin-4-yl-1,3-thiazol-4-yl)-N-(3-pyrrolidin-1-ylpropyl)propanamide;3-[4-(7-methoxyquinolin-8-yl)-1,4-diazepan-1-yl]-3-[2-(oxan-4-yl)-1,3-thiazol-4-yl]propanamide.

Molecular Properties

• Compound Name: N-[2-(dimethylamino)ethyl]-3-[4-(7-methoxyquinolin-8-yl)-1,4-diazepan-1-yl]-3-(2-morpholin-4-yl-1,3-thiazol-4-yl)propanamide;2-hydroxy-1-[4-[[4-(7-methoxyquinolin-8-yl)-1,4-diazepan-1-yl]methyl]piperidin-1-yl]-2-methylpropan-1-one;methane;1-[1-[4-[[4-(7-methoxyquinolin-8-yl)-1,4-diazepan-1-yl]methyl]-1,3-thiazol-2-yl]piperidin-4-yl]ethanone;3-[4-(7-methoxyquinolin-8-yl)-1,4-diazepan-1-yl]-3-(2-morpholin-4-yl-1,3-thiazol-4-yl)-N-(3-pyrrolidin-1-ylpropyl)propanamide;3-[4-(7-methoxyquinolin-8-yl)-1,4-diazepan-1-yl]-3-[2-(oxan-4-yl)-1,3-thiazol-4-yl]propanamide
• PubChem CID: 157156826
• Molecular Formula: C140H196N28O14S4
• Molecular Weight: 2623.56 g/mol
• Exact Mass: 2621.44
• IUPAC Name: N-[2-(dimethylamino)ethyl]-3-[4-(7-methoxyquinolin-8-yl)-1,4-diazepan-1-yl]-3-(2-morpholin-4-yl-1,3-thiazol-4-yl)propanamide;2-hydroxy-1-[4-[[4-(7-methoxyquinolin-8-yl)-1,4-diazepan-1-yl]methyl]piperidin-1-yl]-2-methylpropan-1-one;methane;1-[1-[4-[[4-(7-methoxyquinolin-8-yl)-1,4-diazepan-1-yl]methyl]-1,3-thiazol-2-yl]piperidin-4-yl]ethanone;3-[4-(7-methoxyquinolin-8-yl)-1,4-diazepan-1-yl]-3-(2-morpholin-4-yl-1,3-thiazol-4-yl)-N-(3-pyrrolidin-1-ylpropyl)propanamide;3-[4-(7-methoxyquinolin-8-yl)-1,4-diazepan-1-yl]-3-[2-(oxan-4-yl)-1,3-thiazol-4-yl]propanamide
• SMILES: C.C.COc1ccc2cccnc2c1N1CCCN(C(CC(=O)NCCCN2CCCC2)c2csc(N3CCOCC3)n2)CC1.COc1ccc2cccnc2c1N1CCCN(C(CC(=O)NCCN(C)C)c2csc(N3CCOCC3)n2)CC1.COc1ccc2cccnc2c1N1CCCN(C(CC(N)=O)c2csc(C3CCOCC3)n2)CC1.COc1ccc2cccnc2c1N1CCCN(CC2CCN(C(=O)C(C)(C)O)CC2)CC1.COc1ccc2cccnc2c1N1CCCN(Cc2csc(N3CCC(C(C)=O)CC3)n2)CC1
• InChI: InChI=1S/C32H45N7O3S.C29H41N7O3S.C26H33N5O3S.C26H33N5O2S.C25H36N4O3.2CH4/c1-41-28-9-8-25-7-4-10-34-30(25)31(28)38-16-6-15-37(17-18-38)27(23-29(40)33-11-5-14-36-12-2-3-13-36)26-24-43-32(35-26)39-19-21-42-22-20-39;1-33(2)13-10-30-26(37)20-24(23-21-40-29(32-23)36-16-18-39-19-17-36)34-11-5-12-35(15-14-34)28-25(38-3)8-7-22-6-4-9-31-27(22)28;1-33-22-6-5-18-4-2-9-28-24(18)25(22)31-11-3-10-30(12-13-31)21(16-23(27)32)20-17-35-26(29-20)19-7-14-34-15-8-19;1-19(32)20-8-13-31(14-9-20)26-28-22(18-34-26)17-29-11-4-12-30(16-15-29)25-23(33-2)7-6-21-5-3-10-27-24(21)25;1-25(2,31)24(30)29-14-9-19(10-15-29)18-27-12-5-13-28(17-16-27)23-21(32-3)8-7-20-6-4-11-26-22(20)23;;/h4,7-10,24,27H,2-3,5-6,11-23H2,1H3,(H,33,40);4,6-9,21,24H,5,10-20H2,1-3H3,(H,30,37);2,4-6,9,17,19,21H,3,7-8,10-16H2,1H3,(H2,27,32);3,5-7,10,18,20H,4,8-9,11-17H2,1-2H3;4,6-8,11,19,31H,5,9-10,12-18H2,1-3H3;2*1H4
• InChIKey: ALXGMRKFEWUPFR-UHFFFAOYSA-N
• XLogP: 18.62
• TPSA: 397.35 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 42
• Rotatable Bonds: 39
• Heavy Atoms: 186
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2623.56
LogP ≤ 5	18.62
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	42

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-3-[4-(7-methoxyquinolin-8-yl)-1,4-diazepan-1-yl]-3-(2-morpholin-4-yl-1,3-thiazol-4-yl)propanamide;2-hydroxy-1-[4-[[4-(7-methoxyquinolin-8-yl)-1,4-diazepan-1-yl]methyl]piperidin-1-yl]-2-methylpropan-1-one;methane;1-[1-[4-[[4-(7-methoxyquinolin-8-yl)-1,4-diazepan-1-yl]methyl]-1,3-thiazol-2-yl]piperidin-4-yl]ethanone;3-[4-(7-methoxyquinolin-8-yl)-1,4-diazepan-1-yl]-3-(2-morpholin-4-yl-1,3-thiazol-4-yl)-N-(3-pyrrolidin-1-ylpropyl)propanamide;3-[4-(7-methoxyquinolin-8-yl)-1,4-diazepan-1-yl]-3-[2-(oxan-4-yl)-1,3-thiazol-4-yl]propanamide?

The IUPAC name of N-[2-(dimethylamino)ethyl]-3-[4-(7-methoxyquinolin-8-yl)-1,4-diazepan-1-yl]-3-(2-morpholin-4-yl-1,3-thiazol-4-yl)propanamide;2-hydroxy-1-[4-[[4-(7-methoxyquinolin-8-yl)-1,4-diazepan-1-yl]methyl]piperidin-1-yl]-2-methylpropan-1-one;methane;1-[1-[4-[[4-(7-methoxyquinolin-8-yl)-1,4-diazepan-1-yl]methyl]-1,3-thiazol-2-yl]piperidin-4-yl]ethanone;3-[4-(7-methoxyquinolin-8-yl)-1,4-diazepan-1-yl]-3-(2-morpholin-4-yl-1,3-thiazol-4-yl)-N-(3-pyrrolidin-1-ylpropyl)propanamide;3-[4-(7-methoxyquinolin-8-yl)-1,4-diazepan-1-yl]-3-[2-(oxan-4-yl)-1,3-thiazol-4-yl]propanamide (CID 157156826) is N-[2-(dimethylamino)ethyl]-3-[4-(7-methoxyquinolin-8-yl)-1,4-diazepan-1-yl]-3-(2-morpholin-4-yl-1,3-thiazol-4-yl)propanamide;2-hydroxy-1-[4-[[4-(7-methoxyquinolin-8-yl)-1,4-diazepan-1-yl]methyl]piperidin-1-yl]-2-methylpropan-1-one;methane;1-[1-[4-[[4-(7-methoxyquinolin-8-yl)-1,4-diazepan-1-yl]methyl]-1,3-thiazol-2-yl]piperidin-4-yl]ethanone;3-[4-(7-methoxyquinolin-8-yl)-1,4-diazepan-1-yl]-3-(2-morpholin-4-yl-1,3-thiazol-4-yl)-N-(3-pyrrolidin-1-ylpropyl)propanamide;3-[4-(7-methoxyquinolin-8-yl)-1,4-diazepan-1-yl]-3-[2-(oxan-4-yl)-1,3-thiazol-4-yl]propanamide.

What is the SMILES notation for N-[2-(dimethylamino)ethyl]-3-[4-(7-methoxyquinolin-8-yl)-1,4-diazepan-1-yl]-3-(2-morpholin-4-yl-1,3-thiazol-4-yl)propanamide;2-hydroxy-1-[4-[[4-(7-methoxyquinolin-8-yl)-1,4-diazepan-1-yl]methyl]piperidin-1-yl]-2-methylpropan-1-one;methane;1-[1-[4-[[4-(7-methoxyquinolin-8-yl)-1,4-diazepan-1-yl]methyl]-1,3-thiazol-2-yl]piperidin-4-yl]ethanone;3-[4-(7-methoxyquinolin-8-yl)-1,4-diazepan-1-yl]-3-(2-morpholin-4-yl-1,3-thiazol-4-yl)-N-(3-pyrrolidin-1-ylpropyl)propanamide;3-[4-(7-methoxyquinolin-8-yl)-1,4-diazepan-1-yl]-3-[2-(oxan-4-yl)-1,3-thiazol-4-yl]propanamide?

The canonical SMILES for N-[2-(dimethylamino)ethyl]-3-[4-(7-methoxyquinolin-8-yl)-1,4-diazepan-1-yl]-3-(2-morpholin-4-yl-1,3-thiazol-4-yl)propanamide;2-hydroxy-1-[4-[[4-(7-methoxyquinolin-8-yl)-1,4-diazepan-1-yl]methyl]piperidin-1-yl]-2-methylpropan-1-one;methane;1-[1-[4-[[4-(7-methoxyquinolin-8-yl)-1,4-diazepan-1-yl]methyl]-1,3-thiazol-2-yl]piperidin-4-yl]ethanone;3-[4-(7-methoxyquinolin-8-yl)-1,4-diazepan-1-yl]-3-(2-morpholin-4-yl-1,3-thiazol-4-yl)-N-(3-pyrrolidin-1-ylpropyl)propanamide;3-[4-(7-methoxyquinolin-8-yl)-1,4-diazepan-1-yl]-3-[2-(oxan-4-yl)-1,3-thiazol-4-yl]propanamide is C.C.COc1ccc2cccnc2c1N1CCCN(C(CC(=O)NCCCN2CCCC2)c2csc(N3CCOCC3)n2)CC1.COc1ccc2cccnc2c1N1CCCN(C(CC(=O)NCCN(C)C)c2csc(N3CCOCC3)n2)CC1.COc1ccc2cccnc2c1N1CCCN(C(CC(N)=O)c2csc(C3CCOCC3)n2)CC1.COc1ccc2cccnc2c1N1CCCN(CC2CCN(C(=O)C(C)(C)O)CC2)CC1.COc1ccc2cccnc2c1N1CCCN(Cc2csc(N3CCC(C(C)=O)CC3)n2)CC1.

What is the InChIKey of N-[2-(dimethylamino)ethyl]-3-[4-(7-methoxyquinolin-8-yl)-1,4-diazepan-1-yl]-3-(2-morpholin-4-yl-1,3-thiazol-4-yl)propanamide;2-hydroxy-1-[4-[[4-(7-methoxyquinolin-8-yl)-1,4-diazepan-1-yl]methyl]piperidin-1-yl]-2-methylpropan-1-one;methane;1-[1-[4-[[4-(7-methoxyquinolin-8-yl)-1,4-diazepan-1-yl]methyl]-1,3-thiazol-2-yl]piperidin-4-yl]ethanone;3-[4-(7-methoxyquinolin-8-yl)-1,4-diazepan-1-yl]-3-(2-morpholin-4-yl-1,3-thiazol-4-yl)-N-(3-pyrrolidin-1-ylpropyl)propanamide;3-[4-(7-methoxyquinolin-8-yl)-1,4-diazepan-1-yl]-3-[2-(oxan-4-yl)-1,3-thiazol-4-yl]propanamide?

The InChIKey is ALXGMRKFEWUPFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H45N7O3S.C29H41N7O3S.C26H33N5O3S.C26H33N5O2S.C25H36N4O3.2CH4/c1-41-28-9-8-25-7-4-10-34-30(25)31(28)38-16-6-15-37(17-18-38)27(23-29(40)33-11-5-14-36-12-2-3-13-36)26-24-43-32(35-26)39-19-21-42-22-20-39;1-33(2)13-10-30-26(37)20-24(23-21-40-29(32-23)36-16-18-39-19-17-36)34-11-5-12-35(15-14-34)28-25(38-3)8-7-22-6-4-9-31-27(22)28;1-33-22-6-5-18-4-2-9-28-24(18)25(22)31-11-3-10-30(12-13-31)21(16-23(27)32)20-17-35-26(29-20)19-7-14-34-15-8-19;1-19(32)20-8-13-31(14-9-20)26-28-22(18-34-26)17-29-11-4-12-30(16-15-29)25-23(33-2)7-6-21-5-3-10-27-24(21)25;1-25(2,31)24(30)29-14-9-19(10-15-29)18-27-12-5-13-28(17-16-27)23-21(32-3)8-7-20-6-4-11-26-22(20)23;;/h4,7-10,24,27H,2-3,5-6,11-23H2,1H3,(H,33,40);4,6-9,21,24H,5,10-20H2,1-3H3,(H,30,37);2,4-6,9,17,19,21H,3,7-8,10-16H2,1H3,(H2,27,32);3,5-7,10,18,20H,4,8-9,11-17H2,1-2H3;4,6-8,11,19,31H,5,9-10,12-18H2,1-3H3;2*1H4.

What are the key properties of N-[2-(dimethylamino)ethyl]-3-[4-(7-methoxyquinolin-8-yl)-1,4-diazepan-1-yl]-3-(2-morpholin-4-yl-1,3-thiazol-4-yl)propanamide;2-hydroxy-1-[4-[[4-(7-methoxyquinolin-8-yl)-1,4-diazepan-1-yl]methyl]piperidin-1-yl]-2-methylpropan-1-one;methane;1-[1-[4-[[4-(7-methoxyquinolin-8-yl)-1,4-diazepan-1-yl]methyl]-1,3-thiazol-2-yl]piperidin-4-yl]ethanone;3-[4-(7-methoxyquinolin-8-yl)-1,4-diazepan-1-yl]-3-(2-morpholin-4-yl-1,3-thiazol-4-yl)-N-(3-pyrrolidin-1-ylpropyl)propanamide;3-[4-(7-methoxyquinolin-8-yl)-1,4-diazepan-1-yl]-3-[2-(oxan-4-yl)-1,3-thiazol-4-yl]propanamide?

N-[2-(dimethylamino)ethyl]-3-[4-(7-methoxyquinolin-8-yl)-1,4-diazepan-1-yl]-3-(2-morpholin-4-yl-1,3-thiazol-4-yl)propanamide;2-hydroxy-1-[4-[[4-(7-methoxyquinolin-8-yl)-1,4-diazepan-1-yl]methyl]piperidin-1-yl]-2-methylpropan-1-one;methane;1-[1-[4-[[4-(7-methoxyquinolin-8-yl)-1,4-diazepan-1-yl]methyl]-1,3-thiazol-2-yl]piperidin-4-yl]ethanone;3-[4-(7-methoxyquinolin-8-yl)-1,4-diazepan-1-yl]-3-(2-morpholin-4-yl-1,3-thiazol-4-yl)-N-(3-pyrrolidin-1-ylpropyl)propanamide;3-[4-(7-methoxyquinolin-8-yl)-1,4-diazepan-1-yl]-3-[2-(oxan-4-yl)-1,3-thiazol-4-yl]propanamide has a molecular weight of 2623.56 g/mol, XLogP of 18.62, 39 rotatable bonds, 4 hydrogen bond donors, and 42 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(dimethylamino)ethyl]-3-[4-(7-methoxyquinolin-8-yl)-1,4-diazepan-1-yl]-3-(2-morpholin-4-yl-1,3-thiazol-4-yl)propanamide;2-hydroxy-1-[4-[[4-(7-methoxyquinolin-8-yl)-1,4-diazepan-1-yl]methyl]piperidin-1-yl]-2-methylpropan-1-one;methane;1-[1-[4-[[4-(7-methoxyquinolin-8-yl)-1,4-diazepan-1-yl]methyl]-1,3-thiazol-2-yl]piperidin-4-yl]ethanone;3-[4-(7-methoxyquinolin-8-yl)-1,4-diazepan-1-yl]-3-(2-morpholin-4-yl-1,3-thiazol-4-yl)-N-(3-pyrrolidin-1-ylpropyl)propanamide;3-[4-(7-methoxyquinolin-8-yl)-1,4-diazepan-1-yl]-3-[2-(oxan-4-yl)-1,3-thiazol-4-yl]propanamide is sourced from PubChem (CID 157156826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).