2-cyclohexyl-4-[[4-(6-propan-2-ylquinolin-8-yl)-1,4-diazepan-1-yl]methyl]-1,3-thiazole;6-(2-fluoropropan-2-yl)-8-[4-[(1-phenylpyrazol-3-yl)methyl]-1,4-diazepan-1-yl]quinoline;4-[[4-[6-(2-fluoropropan-2-yl)quinolin-8-yl]-1,4-diazepan-1-yl]methyl]-2-phenyl-1,3-thiazole;2-phenyl-4-[[4-(6-propan-2-ylquinolin-8-yl)-1,4-diazepan-1-yl]methyl]-1,3-oxazole;8-[4-[(1-phenylpyrazol-3-yl)methyl]-1,4-diazepan-1-yl]-6-propylquinoline;8-[4-[(1-phenylpyrazol-3-yl)methyl]-1,4-diazepan-1-yl]quinoline-6-carboxylic acid;2-[8-[4-[(1-phenylpyrazol-3-yl)methyl]-1,4-diazepan-1-yl]quinolin-6-yl]propan-2-ol

C187H212F2N32O4S2 — CID 157362244

About 2-cyclohexyl-4-[[4-(6-propan-2-ylquinolin-8-yl)-1,4-diazepan-1-yl]methyl]-1,3-thiazole;6-(2-fluoropropan-2-yl)-8-[4-[(1-phenylpyrazol-3-yl)methyl]-1,4-diazepan-1-yl]quinoline;4-[[4-[6-(2-fluoropropan-2-yl)quinolin-8-yl]-1,4-diazepan-1-yl]methyl]-2-phenyl-1,3-thiazole;2-phenyl-4-[[4-(6-propan-2-ylquinolin-8-yl)-1,4-diazepan-1-yl]methyl]-1,3-oxazole;8-[4-[(1-phenylpyrazol-3-yl)methyl]-1,4-diazepan-1-yl]-6-propylquinoline;8-[4-[(1-phenylpyrazol-3-yl)methyl]-1,4-diazepan-1-yl]quinoline-6-carboxylic acid;2-[8-[4-[(1-phenylpyrazol-3-yl)methyl]-1,4-diazepan-1-yl]quinolin-6-yl]propan-2-ol

2-cyclohexyl-4-[[4-(6-propan-2-ylquinolin-8-yl)-1,4-diazepan-1-yl]methyl]-1,3-thiazole;6-(2-fluoropropan-2-yl)-8-[4-[(1-phenylpyrazol-3-yl)methyl]-1,4-diazepan-1-yl]quinoline;4-[[4-[6-(2-fluoropropan-2-yl)quinolin-8-yl]-1,4-diazepan-1-yl]methyl]-2-phenyl-1,3-thiazole;2-phenyl-4-[[4-(6-propan-2-ylquinolin-8-yl)-1,4-diazepan-1-yl]methyl]-1,3-oxazole;8-[4-[(1-phenylpyrazol-3-yl)methyl]-1,4-diazepan-1-yl]-6-propylquinoline;8-[4-[(1-phenylpyrazol-3-yl)methyl]-1,4-diazepan-1-yl]quinoline-6-carboxylic acid;2-[8-[4-[(1-phenylpyrazol-3-yl)methyl]-1,4-diazepan-1-yl]quinolin-6-yl]propan-2-ol (PubChem CID 157362244) has the molecular formula C187H212F2N32O4S2 and a molecular weight of 3074.10 g/mol. Its IUPAC name is 2-cyclohexyl-4-[[4-(6-propan-2-ylquinolin-8-yl)-1,4-diazepan-1-yl]methyl]-1,3-thiazole;6-(2-fluoropropan-2-yl)-8-[4-[(1-phenylpyrazol-3-yl)methyl]-1,4-diazepan-1-yl]quinoline;4-[[4-[6-(2-fluoropropan-2-yl)quinolin-8-yl]-1,4-diazepan-1-yl]methyl]-2-phenyl-1,3-thiazole;2-phenyl-4-[[4-(6-propan-2-ylquinolin-8-yl)-1,4-diazepan-1-yl]methyl]-1,3-oxazole;8-[4-[(1-phenylpyrazol-3-yl)methyl]-1,4-diazepan-1-yl]-6-propylquinoline;8-[4-[(1-phenylpyrazol-3-yl)methyl]-1,4-diazepan-1-yl]quinoline-6-carboxylic acid;2-[8-[4-[(1-phenylpyrazol-3-yl)methyl]-1,4-diazepan-1-yl]quinolin-6-yl]propan-2-ol.

Molecular Properties

• Compound Name: 2-cyclohexyl-4-[[4-(6-propan-2-ylquinolin-8-yl)-1,4-diazepan-1-yl]methyl]-1,3-thiazole;6-(2-fluoropropan-2-yl)-8-[4-[(1-phenylpyrazol-3-yl)methyl]-1,4-diazepan-1-yl]quinoline;4-[[4-[6-(2-fluoropropan-2-yl)quinolin-8-yl]-1,4-diazepan-1-yl]methyl]-2-phenyl-1,3-thiazole;2-phenyl-4-[[4-(6-propan-2-ylquinolin-8-yl)-1,4-diazepan-1-yl]methyl]-1,3-oxazole;8-[4-[(1-phenylpyrazol-3-yl)methyl]-1,4-diazepan-1-yl]-6-propylquinoline;8-[4-[(1-phenylpyrazol-3-yl)methyl]-1,4-diazepan-1-yl]quinoline-6-carboxylic acid;2-[8-[4-[(1-phenylpyrazol-3-yl)methyl]-1,4-diazepan-1-yl]quinolin-6-yl]propan-2-ol
• PubChem CID: 157362244
• Molecular Formula: C187H212F2N32O4S2
• Molecular Weight: 3074.10 g/mol
• Exact Mass: 3071.68
• IUPAC Name: 2-cyclohexyl-4-[[4-(6-propan-2-ylquinolin-8-yl)-1,4-diazepan-1-yl]methyl]-1,3-thiazole;6-(2-fluoropropan-2-yl)-8-[4-[(1-phenylpyrazol-3-yl)methyl]-1,4-diazepan-1-yl]quinoline;4-[[4-[6-(2-fluoropropan-2-yl)quinolin-8-yl]-1,4-diazepan-1-yl]methyl]-2-phenyl-1,3-thiazole;2-phenyl-4-[[4-(6-propan-2-ylquinolin-8-yl)-1,4-diazepan-1-yl]methyl]-1,3-oxazole;8-[4-[(1-phenylpyrazol-3-yl)methyl]-1,4-diazepan-1-yl]-6-propylquinoline;8-[4-[(1-phenylpyrazol-3-yl)methyl]-1,4-diazepan-1-yl]quinoline-6-carboxylic acid;2-[8-[4-[(1-phenylpyrazol-3-yl)methyl]-1,4-diazepan-1-yl]quinolin-6-yl]propan-2-ol
• SMILES: CC(C)(F)c1cc(N2CCCN(Cc3ccn(-c4ccccc4)n3)CC2)c2ncccc2c1.CC(C)(F)c1cc(N2CCCN(Cc3csc(-c4ccccc4)n3)CC2)c2ncccc2c1.CC(C)(O)c1cc(N2CCCN(Cc3ccn(-c4ccccc4)n3)CC2)c2ncccc2c1.CC(C)c1cc(N2CCCN(Cc3coc(-c4ccccc4)n3)CC2)c2ncccc2c1.CC(C)c1cc(N2CCCN(Cc3csc(C4CCCCC4)n3)CC2)c2ncccc2c1.CCCc1cc(N2CCCN(Cc3ccn(-c4ccccc4)n3)CC2)c2ncccc2c1.O=C(O)c1cc(N2CCCN(Cc3ccn(-c4ccccc4)n3)CC2)c2ncccc2c1
• InChI: InChI=1S/C27H30FN5.C27H29FN4S.C27H31N5O.C27H31N5.C27H30N4O.C27H36N4S.C25H25N5O2/c1-27(2,28)22-18-21-8-6-12-29-26(21)25(19-22)32-14-7-13-31(16-17-32)20-23-11-15-33(30-23)24-9-4-3-5-10-24;1-27(2,28)22-16-21-10-6-11-29-25(21)24(17-22)32-13-7-12-31(14-15-32)18-23-19-33-26(30-23)20-8-4-3-5-9-20;1-27(2,33)22-18-21-8-6-12-28-26(21)25(19-22)31-14-7-13-30(16-17-31)20-23-11-15-32(29-23)24-9-4-3-5-10-24;1-2-8-22-19-23-9-6-13-28-27(23)26(20-22)31-15-7-14-30(17-18-31)21-24-12-16-32(29-24)25-10-4-3-5-11-25;2*1-20(2)23-16-22-10-6-11-28-26(22)25(17-23)31-13-7-12-30(14-15-31)18-24-19-32-27(29-24)21-8-4-3-5-9-21;31-25(32)20-16-19-6-4-10-26-24(19)23(17-20)29-12-5-11-28(14-15-29)18-21-9-13-30(27-21)22-7-2-1-3-8-22/h3-6,8-12,15,18-19H,7,13-14,16-17,20H2,1-2H3;3-6,8-11,16-17,19H,7,12-15,18H2,1-2H3;3-6,8-12,15,18-19,33H,7,13-14,16-17,20H2,1-2H3;3-6,9-13,16,19-20H,2,7-8,14-15,17-18,21H2,1H3;3-6,8-11,16-17,19-20H,7,12-15,18H2,1-2H3;6,10-11,16-17,19-21H,3-5,7-9,12-15,18H2,1-2H3;1-4,6-10,13,16-17H,5,11-12,14-15,18H2,(H,31,32)
• InChIKey: BITSHRXRVOCULP-UHFFFAOYSA-N
• XLogP: 37.19
• TPSA: 316.21 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 37
• Rotatable Bonds: 36
• Heavy Atoms: 227
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3074.10
LogP ≤ 5	37.19
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	37

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-4-[[4-(6-propan-2-ylquinolin-8-yl)-1,4-diazepan-1-yl]methyl]-1,3-thiazole;6-(2-fluoropropan-2-yl)-8-[4-[(1-phenylpyrazol-3-yl)methyl]-1,4-diazepan-1-yl]quinoline;4-[[4-[6-(2-fluoropropan-2-yl)quinolin-8-yl]-1,4-diazepan-1-yl]methyl]-2-phenyl-1,3-thiazole;2-phenyl-4-[[4-(6-propan-2-ylquinolin-8-yl)-1,4-diazepan-1-yl]methyl]-1,3-oxazole;8-[4-[(1-phenylpyrazol-3-yl)methyl]-1,4-diazepan-1-yl]-6-propylquinoline;8-[4-[(1-phenylpyrazol-3-yl)methyl]-1,4-diazepan-1-yl]quinoline-6-carboxylic acid;2-[8-[4-[(1-phenylpyrazol-3-yl)methyl]-1,4-diazepan-1-yl]quinolin-6-yl]propan-2-ol?

The IUPAC name of 2-cyclohexyl-4-[[4-(6-propan-2-ylquinolin-8-yl)-1,4-diazepan-1-yl]methyl]-1,3-thiazole;6-(2-fluoropropan-2-yl)-8-[4-[(1-phenylpyrazol-3-yl)methyl]-1,4-diazepan-1-yl]quinoline;4-[[4-[6-(2-fluoropropan-2-yl)quinolin-8-yl]-1,4-diazepan-1-yl]methyl]-2-phenyl-1,3-thiazole;2-phenyl-4-[[4-(6-propan-2-ylquinolin-8-yl)-1,4-diazepan-1-yl]methyl]-1,3-oxazole;8-[4-[(1-phenylpyrazol-3-yl)methyl]-1,4-diazepan-1-yl]-6-propylquinoline;8-[4-[(1-phenylpyrazol-3-yl)methyl]-1,4-diazepan-1-yl]quinoline-6-carboxylic acid;2-[8-[4-[(1-phenylpyrazol-3-yl)methyl]-1,4-diazepan-1-yl]quinolin-6-yl]propan-2-ol (CID 157362244) is 2-cyclohexyl-4-[[4-(6-propan-2-ylquinolin-8-yl)-1,4-diazepan-1-yl]methyl]-1,3-thiazole;6-(2-fluoropropan-2-yl)-8-[4-[(1-phenylpyrazol-3-yl)methyl]-1,4-diazepan-1-yl]quinoline;4-[[4-[6-(2-fluoropropan-2-yl)quinolin-8-yl]-1,4-diazepan-1-yl]methyl]-2-phenyl-1,3-thiazole;2-phenyl-4-[[4-(6-propan-2-ylquinolin-8-yl)-1,4-diazepan-1-yl]methyl]-1,3-oxazole;8-[4-[(1-phenylpyrazol-3-yl)methyl]-1,4-diazepan-1-yl]-6-propylquinoline;8-[4-[(1-phenylpyrazol-3-yl)methyl]-1,4-diazepan-1-yl]quinoline-6-carboxylic acid;2-[8-[4-[(1-phenylpyrazol-3-yl)methyl]-1,4-diazepan-1-yl]quinolin-6-yl]propan-2-ol.

What is the SMILES notation for 2-cyclohexyl-4-[[4-(6-propan-2-ylquinolin-8-yl)-1,4-diazepan-1-yl]methyl]-1,3-thiazole;6-(2-fluoropropan-2-yl)-8-[4-[(1-phenylpyrazol-3-yl)methyl]-1,4-diazepan-1-yl]quinoline;4-[[4-[6-(2-fluoropropan-2-yl)quinolin-8-yl]-1,4-diazepan-1-yl]methyl]-2-phenyl-1,3-thiazole;2-phenyl-4-[[4-(6-propan-2-ylquinolin-8-yl)-1,4-diazepan-1-yl]methyl]-1,3-oxazole;8-[4-[(1-phenylpyrazol-3-yl)methyl]-1,4-diazepan-1-yl]-6-propylquinoline;8-[4-[(1-phenylpyrazol-3-yl)methyl]-1,4-diazepan-1-yl]quinoline-6-carboxylic acid;2-[8-[4-[(1-phenylpyrazol-3-yl)methyl]-1,4-diazepan-1-yl]quinolin-6-yl]propan-2-ol?

The canonical SMILES for 2-cyclohexyl-4-[[4-(6-propan-2-ylquinolin-8-yl)-1,4-diazepan-1-yl]methyl]-1,3-thiazole;6-(2-fluoropropan-2-yl)-8-[4-[(1-phenylpyrazol-3-yl)methyl]-1,4-diazepan-1-yl]quinoline;4-[[4-[6-(2-fluoropropan-2-yl)quinolin-8-yl]-1,4-diazepan-1-yl]methyl]-2-phenyl-1,3-thiazole;2-phenyl-4-[[4-(6-propan-2-ylquinolin-8-yl)-1,4-diazepan-1-yl]methyl]-1,3-oxazole;8-[4-[(1-phenylpyrazol-3-yl)methyl]-1,4-diazepan-1-yl]-6-propylquinoline;8-[4-[(1-phenylpyrazol-3-yl)methyl]-1,4-diazepan-1-yl]quinoline-6-carboxylic acid;2-[8-[4-[(1-phenylpyrazol-3-yl)methyl]-1,4-diazepan-1-yl]quinolin-6-yl]propan-2-ol is CC(C)(F)c1cc(N2CCCN(Cc3ccn(-c4ccccc4)n3)CC2)c2ncccc2c1.CC(C)(F)c1cc(N2CCCN(Cc3csc(-c4ccccc4)n3)CC2)c2ncccc2c1.CC(C)(O)c1cc(N2CCCN(Cc3ccn(-c4ccccc4)n3)CC2)c2ncccc2c1.CC(C)c1cc(N2CCCN(Cc3coc(-c4ccccc4)n3)CC2)c2ncccc2c1.CC(C)c1cc(N2CCCN(Cc3csc(C4CCCCC4)n3)CC2)c2ncccc2c1.CCCc1cc(N2CCCN(Cc3ccn(-c4ccccc4)n3)CC2)c2ncccc2c1.O=C(O)c1cc(N2CCCN(Cc3ccn(-c4ccccc4)n3)CC2)c2ncccc2c1.

What is the InChIKey of 2-cyclohexyl-4-[[4-(6-propan-2-ylquinolin-8-yl)-1,4-diazepan-1-yl]methyl]-1,3-thiazole;6-(2-fluoropropan-2-yl)-8-[4-[(1-phenylpyrazol-3-yl)methyl]-1,4-diazepan-1-yl]quinoline;4-[[4-[6-(2-fluoropropan-2-yl)quinolin-8-yl]-1,4-diazepan-1-yl]methyl]-2-phenyl-1,3-thiazole;2-phenyl-4-[[4-(6-propan-2-ylquinolin-8-yl)-1,4-diazepan-1-yl]methyl]-1,3-oxazole;8-[4-[(1-phenylpyrazol-3-yl)methyl]-1,4-diazepan-1-yl]-6-propylquinoline;8-[4-[(1-phenylpyrazol-3-yl)methyl]-1,4-diazepan-1-yl]quinoline-6-carboxylic acid;2-[8-[4-[(1-phenylpyrazol-3-yl)methyl]-1,4-diazepan-1-yl]quinolin-6-yl]propan-2-ol?

The InChIKey is BITSHRXRVOCULP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30FN5.C27H29FN4S.C27H31N5O.C27H31N5.C27H30N4O.C27H36N4S.C25H25N5O2/c1-27(2,28)22-18-21-8-6-12-29-26(21)25(19-22)32-14-7-13-31(16-17-32)20-23-11-15-33(30-23)24-9-4-3-5-10-24;1-27(2,28)22-16-21-10-6-11-29-25(21)24(17-22)32-13-7-12-31(14-15-32)18-23-19-33-26(30-23)20-8-4-3-5-9-20;1-27(2,33)22-18-21-8-6-12-28-26(21)25(19-22)31-14-7-13-30(16-17-31)20-23-11-15-32(29-23)24-9-4-3-5-10-24;1-2-8-22-19-23-9-6-13-28-27(23)26(20-22)31-15-7-14-30(17-18-31)21-24-12-16-32(29-24)25-10-4-3-5-11-25;2*1-20(2)23-16-22-10-6-11-28-26(22)25(17-23)31-13-7-12-30(14-15-31)18-24-19-32-27(29-24)21-8-4-3-5-9-21;31-25(32)20-16-19-6-4-10-26-24(19)23(17-20)29-12-5-11-28(14-15-29)18-21-9-13-30(27-21)22-7-2-1-3-8-22/h3-6,8-12,15,18-19H,7,13-14,16-17,20H2,1-2H3;3-6,8-11,16-17,19H,7,12-15,18H2,1-2H3;3-6,8-12,15,18-19,33H,7,13-14,16-17,20H2,1-2H3;3-6,9-13,16,19-20H,2,7-8,14-15,17-18,21H2,1H3;3-6,8-11,16-17,19-20H,7,12-15,18H2,1-2H3;6,10-11,16-17,19-21H,3-5,7-9,12-15,18H2,1-2H3;1-4,6-10,13,16-17H,5,11-12,14-15,18H2,(H,31,32).

What are the key properties of 2-cyclohexyl-4-[[4-(6-propan-2-ylquinolin-8-yl)-1,4-diazepan-1-yl]methyl]-1,3-thiazole;6-(2-fluoropropan-2-yl)-8-[4-[(1-phenylpyrazol-3-yl)methyl]-1,4-diazepan-1-yl]quinoline;4-[[4-[6-(2-fluoropropan-2-yl)quinolin-8-yl]-1,4-diazepan-1-yl]methyl]-2-phenyl-1,3-thiazole;2-phenyl-4-[[4-(6-propan-2-ylquinolin-8-yl)-1,4-diazepan-1-yl]methyl]-1,3-oxazole;8-[4-[(1-phenylpyrazol-3-yl)methyl]-1,4-diazepan-1-yl]-6-propylquinoline;8-[4-[(1-phenylpyrazol-3-yl)methyl]-1,4-diazepan-1-yl]quinoline-6-carboxylic acid;2-[8-[4-[(1-phenylpyrazol-3-yl)methyl]-1,4-diazepan-1-yl]quinolin-6-yl]propan-2-ol?

2-cyclohexyl-4-[[4-(6-propan-2-ylquinolin-8-yl)-1,4-diazepan-1-yl]methyl]-1,3-thiazole;6-(2-fluoropropan-2-yl)-8-[4-[(1-phenylpyrazol-3-yl)methyl]-1,4-diazepan-1-yl]quinoline;4-[[4-[6-(2-fluoropropan-2-yl)quinolin-8-yl]-1,4-diazepan-1-yl]methyl]-2-phenyl-1,3-thiazole;2-phenyl-4-[[4-(6-propan-2-ylquinolin-8-yl)-1,4-diazepan-1-yl]methyl]-1,3-oxazole;8-[4-[(1-phenylpyrazol-3-yl)methyl]-1,4-diazepan-1-yl]-6-propylquinoline;8-[4-[(1-phenylpyrazol-3-yl)methyl]-1,4-diazepan-1-yl]quinoline-6-carboxylic acid;2-[8-[4-[(1-phenylpyrazol-3-yl)methyl]-1,4-diazepan-1-yl]quinolin-6-yl]propan-2-ol has a molecular weight of 3074.10 g/mol, XLogP of 37.19, 36 rotatable bonds, 2 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for 2-cyclohexyl-4-[[4-(6-propan-2-ylquinolin-8-yl)-1,4-diazepan-1-yl]methyl]-1,3-thiazole;6-(2-fluoropropan-2-yl)-8-[4-[(1-phenylpyrazol-3-yl)methyl]-1,4-diazepan-1-yl]quinoline;4-[[4-[6-(2-fluoropropan-2-yl)quinolin-8-yl]-1,4-diazepan-1-yl]methyl]-2-phenyl-1,3-thiazole;2-phenyl-4-[[4-(6-propan-2-ylquinolin-8-yl)-1,4-diazepan-1-yl]methyl]-1,3-oxazole;8-[4-[(1-phenylpyrazol-3-yl)methyl]-1,4-diazepan-1-yl]-6-propylquinoline;8-[4-[(1-phenylpyrazol-3-yl)methyl]-1,4-diazepan-1-yl]quinoline-6-carboxylic acid;2-[8-[4-[(1-phenylpyrazol-3-yl)methyl]-1,4-diazepan-1-yl]quinolin-6-yl]propan-2-ol is sourced from PubChem (CID 157362244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).