2-[3-cyclohexyl-2-[2-(2,4-dimethyl-1,3-thiazol-5-yl)quinolin-6-yl]-5-isocyanophenyl]-1-morpholin-4-ylethanone;3-cyclohexyl-4-[2-(2,4-dimethyl-1,3-thiazol-5-yl)quinolin-6-yl]-5-(2-morpholin-4-yl-2-oxoethyl)benzamide;3-cyclohexyl-4-[2-(2,4-dimethyl-1,3-thiazol-5-yl)quinolin-6-yl]-5-(2-morpholin-4-yl-2-oxoethyl)benzoic acid;2-[3-cyclohexyl-2-[2-(2,4-dimethyl-1,3-thiazol-5-yl)quinolin-6-yl]-5-(2H-tetrazol-5-yl)phenyl]-1-morpholin-4-ylethanone

C132H140N18O11S4 — CID 159460548

About 2-[3-cyclohexyl-2-[2-(2,4-dimethyl-1,3-thiazol-5-yl)quinolin-6-yl]-5-isocyanophenyl]-1-morpholin-4-ylethanone;3-cyclohexyl-4-[2-(2,4-dimethyl-1,3-thiazol-5-yl)quinolin-6-yl]-5-(2-morpholin-4-yl-2-oxoethyl)benzamide;3-cyclohexyl-4-[2-(2,4-dimethyl-1,3-thiazol-5-yl)quinolin-6-yl]-5-(2-morpholin-4-yl-2-oxoethyl)benzoic acid;2-[3-cyclohexyl-2-[2-(2,4-dimethyl-1,3-thiazol-5-yl)quinolin-6-yl]-5-(2H-tetrazol-5-yl)phenyl]-1-morpholin-4-ylethanone

2-[3-cyclohexyl-2-[2-(2,4-dimethyl-1,3-thiazol-5-yl)quinolin-6-yl]-5-isocyanophenyl]-1-morpholin-4-ylethanone;3-cyclohexyl-4-[2-(2,4-dimethyl-1,3-thiazol-5-yl)quinolin-6-yl]-5-(2-morpholin-4-yl-2-oxoethyl)benzamide;3-cyclohexyl-4-[2-(2,4-dimethyl-1,3-thiazol-5-yl)quinolin-6-yl]-5-(2-morpholin-4-yl-2-oxoethyl)benzoic acid;2-[3-cyclohexyl-2-[2-(2,4-dimethyl-1,3-thiazol-5-yl)quinolin-6-yl]-5-(2H-tetrazol-5-yl)phenyl]-1-morpholin-4-ylethanone (PubChem CID 159460548) has the molecular formula C132H140N18O11S4 and a molecular weight of 2282.95 g/mol. Its IUPAC name is 2-[3-cyclohexyl-2-[2-(2,4-dimethyl-1,3-thiazol-5-yl)quinolin-6-yl]-5-isocyanophenyl]-1-morpholin-4-ylethanone;3-cyclohexyl-4-[2-(2,4-dimethyl-1,3-thiazol-5-yl)quinolin-6-yl]-5-(2-morpholin-4-yl-2-oxoethyl)benzamide;3-cyclohexyl-4-[2-(2,4-dimethyl-1,3-thiazol-5-yl)quinolin-6-yl]-5-(2-morpholin-4-yl-2-oxoethyl)benzoic acid;2-[3-cyclohexyl-2-[2-(2,4-dimethyl-1,3-thiazol-5-yl)quinolin-6-yl]-5-(2H-tetrazol-5-yl)phenyl]-1-morpholin-4-ylethanone.

Molecular Properties

• Compound Name: 2-[3-cyclohexyl-2-[2-(2,4-dimethyl-1,3-thiazol-5-yl)quinolin-6-yl]-5-isocyanophenyl]-1-morpholin-4-ylethanone;3-cyclohexyl-4-[2-(2,4-dimethyl-1,3-thiazol-5-yl)quinolin-6-yl]-5-(2-morpholin-4-yl-2-oxoethyl)benzamide;3-cyclohexyl-4-[2-(2,4-dimethyl-1,3-thiazol-5-yl)quinolin-6-yl]-5-(2-morpholin-4-yl-2-oxoethyl)benzoic acid;2-[3-cyclohexyl-2-[2-(2,4-dimethyl-1,3-thiazol-5-yl)quinolin-6-yl]-5-(2H-tetrazol-5-yl)phenyl]-1-morpholin-4-ylethanone
• PubChem CID: 159460548
• Molecular Formula: C132H140N18O11S4
• Molecular Weight: 2282.95 g/mol
• Exact Mass: 2280.98
• IUPAC Name: 2-[3-cyclohexyl-2-[2-(2,4-dimethyl-1,3-thiazol-5-yl)quinolin-6-yl]-5-isocyanophenyl]-1-morpholin-4-ylethanone;3-cyclohexyl-4-[2-(2,4-dimethyl-1,3-thiazol-5-yl)quinolin-6-yl]-5-(2-morpholin-4-yl-2-oxoethyl)benzamide;3-cyclohexyl-4-[2-(2,4-dimethyl-1,3-thiazol-5-yl)quinolin-6-yl]-5-(2-morpholin-4-yl-2-oxoethyl)benzoic acid;2-[3-cyclohexyl-2-[2-(2,4-dimethyl-1,3-thiazol-5-yl)quinolin-6-yl]-5-(2H-tetrazol-5-yl)phenyl]-1-morpholin-4-ylethanone
• SMILES: Cc1nc(C)c(-c2ccc3cc(-c4c(CC(=O)N5CCOCC5)cc(-c5nn[nH]n5)cc4C4CCCCC4)ccc3n2)s1.Cc1nc(C)c(-c2ccc3cc(-c4c(CC(=O)N5CCOCC5)cc(C(=O)O)cc4C4CCCCC4)ccc3n2)s1.Cc1nc(C)c(-c2ccc3cc(-c4c(CC(=O)N5CCOCC5)cc(C(N)=O)cc4C4CCCCC4)ccc3n2)s1.[C-]#[N+]c1cc(CC(=O)N2CCOCC2)c(-c2ccc3nc(-c4sc(C)nc4C)ccc3c2)c(C2CCCCC2)c1
• InChI: InChI=1S/C33H35N7O2S.C33H36N4O3S.C33H34N4O2S.C33H35N3O4S/c1-20-32(43-21(2)34-20)29-11-8-23-16-24(9-10-28(23)35-29)31-25(19-30(41)40-12-14-42-15-13-40)17-26(33-36-38-39-37-33)18-27(31)22-6-4-3-5-7-22;1-20-32(41-21(2)35-20)29-11-8-23-16-24(9-10-28(23)36-29)31-25(19-30(38)37-12-14-40-15-13-37)17-26(33(34)39)18-27(31)22-6-4-3-5-7-22;1-21-33(40-22(2)35-21)30-12-9-24-17-25(10-11-29(24)36-30)32-26(19-31(38)37-13-15-39-16-14-37)18-27(34-3)20-28(32)23-7-5-4-6-8-23;1-20-32(41-21(2)34-20)29-11-8-23-16-24(9-10-28(23)35-29)31-25(19-30(37)36-12-14-40-15-13-36)17-26(33(38)39)18-27(31)22-6-4-3-5-7-22/h8-11,16-18,22H,3-7,12-15,19H2,1-2H3,(H,36,37,38,39);8-11,16-18,22H,3-7,12-15,19H2,1-2H3,(H2,34,39);9-12,17-18,20,23H,4-8,13-16,19H2,1-2H3;8-11,16-18,22H,3-7,12-15,19H2,1-2H3,(H,38,39)
• InChIKey: LUNQIQYETGIFJH-UHFFFAOYSA-N
• XLogP: 26.89
• TPSA: 360.49 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 25
• Rotatable Bonds: 23
• Heavy Atoms: 165
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2282.95
LogP ≤ 5	26.89
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[3-cyclohexyl-2-[2-(2,4-dimethyl-1,3-thiazol-5-yl)quinolin-6-yl]-5-isocyanophenyl]-1-morpholin-4-ylethanone;3-cyclohexyl-4-[2-(2,4-dimethyl-1,3-thiazol-5-yl)quinolin-6-yl]-5-(2-morpholin-4-yl-2-oxoethyl)benzamide;3-cyclohexyl-4-[2-(2,4-dimethyl-1,3-thiazol-5-yl)quinolin-6-yl]-5-(2-morpholin-4-yl-2-oxoethyl)benzoic acid;2-[3-cyclohexyl-2-[2-(2,4-dimethyl-1,3-thiazol-5-yl)quinolin-6-yl]-5-(2H-tetrazol-5-yl)phenyl]-1-morpholin-4-ylethanone?

The IUPAC name of 2-[3-cyclohexyl-2-[2-(2,4-dimethyl-1,3-thiazol-5-yl)quinolin-6-yl]-5-isocyanophenyl]-1-morpholin-4-ylethanone;3-cyclohexyl-4-[2-(2,4-dimethyl-1,3-thiazol-5-yl)quinolin-6-yl]-5-(2-morpholin-4-yl-2-oxoethyl)benzamide;3-cyclohexyl-4-[2-(2,4-dimethyl-1,3-thiazol-5-yl)quinolin-6-yl]-5-(2-morpholin-4-yl-2-oxoethyl)benzoic acid;2-[3-cyclohexyl-2-[2-(2,4-dimethyl-1,3-thiazol-5-yl)quinolin-6-yl]-5-(2H-tetrazol-5-yl)phenyl]-1-morpholin-4-ylethanone (CID 159460548) is 2-[3-cyclohexyl-2-[2-(2,4-dimethyl-1,3-thiazol-5-yl)quinolin-6-yl]-5-isocyanophenyl]-1-morpholin-4-ylethanone;3-cyclohexyl-4-[2-(2,4-dimethyl-1,3-thiazol-5-yl)quinolin-6-yl]-5-(2-morpholin-4-yl-2-oxoethyl)benzamide;3-cyclohexyl-4-[2-(2,4-dimethyl-1,3-thiazol-5-yl)quinolin-6-yl]-5-(2-morpholin-4-yl-2-oxoethyl)benzoic acid;2-[3-cyclohexyl-2-[2-(2,4-dimethyl-1,3-thiazol-5-yl)quinolin-6-yl]-5-(2H-tetrazol-5-yl)phenyl]-1-morpholin-4-ylethanone.

What is the SMILES notation for 2-[3-cyclohexyl-2-[2-(2,4-dimethyl-1,3-thiazol-5-yl)quinolin-6-yl]-5-isocyanophenyl]-1-morpholin-4-ylethanone;3-cyclohexyl-4-[2-(2,4-dimethyl-1,3-thiazol-5-yl)quinolin-6-yl]-5-(2-morpholin-4-yl-2-oxoethyl)benzamide;3-cyclohexyl-4-[2-(2,4-dimethyl-1,3-thiazol-5-yl)quinolin-6-yl]-5-(2-morpholin-4-yl-2-oxoethyl)benzoic acid;2-[3-cyclohexyl-2-[2-(2,4-dimethyl-1,3-thiazol-5-yl)quinolin-6-yl]-5-(2H-tetrazol-5-yl)phenyl]-1-morpholin-4-ylethanone?

The canonical SMILES for 2-[3-cyclohexyl-2-[2-(2,4-dimethyl-1,3-thiazol-5-yl)quinolin-6-yl]-5-isocyanophenyl]-1-morpholin-4-ylethanone;3-cyclohexyl-4-[2-(2,4-dimethyl-1,3-thiazol-5-yl)quinolin-6-yl]-5-(2-morpholin-4-yl-2-oxoethyl)benzamide;3-cyclohexyl-4-[2-(2,4-dimethyl-1,3-thiazol-5-yl)quinolin-6-yl]-5-(2-morpholin-4-yl-2-oxoethyl)benzoic acid;2-[3-cyclohexyl-2-[2-(2,4-dimethyl-1,3-thiazol-5-yl)quinolin-6-yl]-5-(2H-tetrazol-5-yl)phenyl]-1-morpholin-4-ylethanone is Cc1nc(C)c(-c2ccc3cc(-c4c(CC(=O)N5CCOCC5)cc(-c5nn[nH]n5)cc4C4CCCCC4)ccc3n2)s1.Cc1nc(C)c(-c2ccc3cc(-c4c(CC(=O)N5CCOCC5)cc(C(=O)O)cc4C4CCCCC4)ccc3n2)s1.Cc1nc(C)c(-c2ccc3cc(-c4c(CC(=O)N5CCOCC5)cc(C(N)=O)cc4C4CCCCC4)ccc3n2)s1.[C-]#[N+]c1cc(CC(=O)N2CCOCC2)c(-c2ccc3nc(-c4sc(C)nc4C)ccc3c2)c(C2CCCCC2)c1.

What is the InChIKey of 2-[3-cyclohexyl-2-[2-(2,4-dimethyl-1,3-thiazol-5-yl)quinolin-6-yl]-5-isocyanophenyl]-1-morpholin-4-ylethanone;3-cyclohexyl-4-[2-(2,4-dimethyl-1,3-thiazol-5-yl)quinolin-6-yl]-5-(2-morpholin-4-yl-2-oxoethyl)benzamide;3-cyclohexyl-4-[2-(2,4-dimethyl-1,3-thiazol-5-yl)quinolin-6-yl]-5-(2-morpholin-4-yl-2-oxoethyl)benzoic acid;2-[3-cyclohexyl-2-[2-(2,4-dimethyl-1,3-thiazol-5-yl)quinolin-6-yl]-5-(2H-tetrazol-5-yl)phenyl]-1-morpholin-4-ylethanone?

The InChIKey is LUNQIQYETGIFJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H35N7O2S.C33H36N4O3S.C33H34N4O2S.C33H35N3O4S/c1-20-32(43-21(2)34-20)29-11-8-23-16-24(9-10-28(23)35-29)31-25(19-30(41)40-12-14-42-15-13-40)17-26(33-36-38-39-37-33)18-27(31)22-6-4-3-5-7-22;1-20-32(41-21(2)35-20)29-11-8-23-16-24(9-10-28(23)36-29)31-25(19-30(38)37-12-14-40-15-13-37)17-26(33(34)39)18-27(31)22-6-4-3-5-7-22;1-21-33(40-22(2)35-21)30-12-9-24-17-25(10-11-29(24)36-30)32-26(19-31(38)37-13-15-39-16-14-37)18-27(34-3)20-28(32)23-7-5-4-6-8-23;1-20-32(41-21(2)34-20)29-11-8-23-16-24(9-10-28(23)35-29)31-25(19-30(37)36-12-14-40-15-13-36)17-26(33(38)39)18-27(31)22-6-4-3-5-7-22/h8-11,16-18,22H,3-7,12-15,19H2,1-2H3,(H,36,37,38,39);8-11,16-18,22H,3-7,12-15,19H2,1-2H3,(H2,34,39);9-12,17-18,20,23H,4-8,13-16,19H2,1-2H3;8-11,16-18,22H,3-7,12-15,19H2,1-2H3,(H,38,39).

What are the key properties of 2-[3-cyclohexyl-2-[2-(2,4-dimethyl-1,3-thiazol-5-yl)quinolin-6-yl]-5-isocyanophenyl]-1-morpholin-4-ylethanone;3-cyclohexyl-4-[2-(2,4-dimethyl-1,3-thiazol-5-yl)quinolin-6-yl]-5-(2-morpholin-4-yl-2-oxoethyl)benzamide;3-cyclohexyl-4-[2-(2,4-dimethyl-1,3-thiazol-5-yl)quinolin-6-yl]-5-(2-morpholin-4-yl-2-oxoethyl)benzoic acid;2-[3-cyclohexyl-2-[2-(2,4-dimethyl-1,3-thiazol-5-yl)quinolin-6-yl]-5-(2H-tetrazol-5-yl)phenyl]-1-morpholin-4-ylethanone?

2-[3-cyclohexyl-2-[2-(2,4-dimethyl-1,3-thiazol-5-yl)quinolin-6-yl]-5-isocyanophenyl]-1-morpholin-4-ylethanone;3-cyclohexyl-4-[2-(2,4-dimethyl-1,3-thiazol-5-yl)quinolin-6-yl]-5-(2-morpholin-4-yl-2-oxoethyl)benzamide;3-cyclohexyl-4-[2-(2,4-dimethyl-1,3-thiazol-5-yl)quinolin-6-yl]-5-(2-morpholin-4-yl-2-oxoethyl)benzoic acid;2-[3-cyclohexyl-2-[2-(2,4-dimethyl-1,3-thiazol-5-yl)quinolin-6-yl]-5-(2H-tetrazol-5-yl)phenyl]-1-morpholin-4-ylethanone has a molecular weight of 2282.95 g/mol, XLogP of 26.89, 23 rotatable bonds, 3 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-cyclohexyl-2-[2-(2,4-dimethyl-1,3-thiazol-5-yl)quinolin-6-yl]-5-isocyanophenyl]-1-morpholin-4-ylethanone;3-cyclohexyl-4-[2-(2,4-dimethyl-1,3-thiazol-5-yl)quinolin-6-yl]-5-(2-morpholin-4-yl-2-oxoethyl)benzamide;3-cyclohexyl-4-[2-(2,4-dimethyl-1,3-thiazol-5-yl)quinolin-6-yl]-5-(2-morpholin-4-yl-2-oxoethyl)benzoic acid;2-[3-cyclohexyl-2-[2-(2,4-dimethyl-1,3-thiazol-5-yl)quinolin-6-yl]-5-(2H-tetrazol-5-yl)phenyl]-1-morpholin-4-ylethanone is sourced from PubChem (CID 159460548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).