4-[7-(2-amino-2-methylpropoxy)-8-chloro-4-[(2-methylpropan-2-yl)oxy]quinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine;4-[8-chloro-7-(2-isocyanoethyl)-4-propan-2-yloxyquinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine;5-chloro-4-[7-methyl-4-[(2-methylpropan-2-yl)oxy]quinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine;4-[8-chloro-4-[(2-methylpropan-2-yl)oxy]-7-(2-morpholin-4-ylethoxy)quinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine;4-[4-[(2-methylpropan-2-yl)oxy]-7-(2-morpholin-4-ylethoxy)quinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine

C114H145Cl4N19O10S5 — CID 158938619

About 4-[7-(2-amino-2-methylpropoxy)-8-chloro-4-[(2-methylpropan-2-yl)oxy]quinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine;4-[8-chloro-7-(2-isocyanoethyl)-4-propan-2-yloxyquinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine;5-chloro-4-[7-methyl-4-[(2-methylpropan-2-yl)oxy]quinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine;4-[8-chloro-4-[(2-methylpropan-2-yl)oxy]-7-(2-morpholin-4-ylethoxy)quinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine;4-[4-[(2-methylpropan-2-yl)oxy]-7-(2-morpholin-4-ylethoxy)quinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine

4-[7-(2-amino-2-methylpropoxy)-8-chloro-4-[(2-methylpropan-2-yl)oxy]quinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine;4-[8-chloro-7-(2-isocyanoethyl)-4-propan-2-yloxyquinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine;5-chloro-4-[7-methyl-4-[(2-methylpropan-2-yl)oxy]quinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine;4-[8-chloro-4-[(2-methylpropan-2-yl)oxy]-7-(2-morpholin-4-ylethoxy)quinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine;4-[4-[(2-methylpropan-2-yl)oxy]-7-(2-morpholin-4-ylethoxy)quinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine (PubChem CID 158938619) has the molecular formula C114H145Cl4N19O10S5 and a molecular weight of 2243.68 g/mol. Its IUPAC name is 4-[7-(2-amino-2-methylpropoxy)-8-chloro-4-[(2-methylpropan-2-yl)oxy]quinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine;4-[8-chloro-7-(2-isocyanoethyl)-4-propan-2-yloxyquinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine;5-chloro-4-[7-methyl-4-[(2-methylpropan-2-yl)oxy]quinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine;4-[8-chloro-4-[(2-methylpropan-2-yl)oxy]-7-(2-morpholin-4-ylethoxy)quinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine;4-[4-[(2-methylpropan-2-yl)oxy]-7-(2-morpholin-4-ylethoxy)quinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine.

Molecular Properties

• Compound Name: 4-[7-(2-amino-2-methylpropoxy)-8-chloro-4-[(2-methylpropan-2-yl)oxy]quinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine;4-[8-chloro-7-(2-isocyanoethyl)-4-propan-2-yloxyquinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine;5-chloro-4-[7-methyl-4-[(2-methylpropan-2-yl)oxy]quinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine;4-[8-chloro-4-[(2-methylpropan-2-yl)oxy]-7-(2-morpholin-4-ylethoxy)quinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine;4-[4-[(2-methylpropan-2-yl)oxy]-7-(2-morpholin-4-ylethoxy)quinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine
• PubChem CID: 158938619
• Molecular Formula: C114H145Cl4N19O10S5
• Molecular Weight: 2243.68 g/mol
• Exact Mass: 2239.88
• IUPAC Name: 4-[7-(2-amino-2-methylpropoxy)-8-chloro-4-[(2-methylpropan-2-yl)oxy]quinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine;4-[8-chloro-7-(2-isocyanoethyl)-4-propan-2-yloxyquinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine;5-chloro-4-[7-methyl-4-[(2-methylpropan-2-yl)oxy]quinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine;4-[8-chloro-4-[(2-methylpropan-2-yl)oxy]-7-(2-morpholin-4-ylethoxy)quinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine;4-[4-[(2-methylpropan-2-yl)oxy]-7-(2-morpholin-4-ylethoxy)quinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine
• SMILES: CC(C)Nc1nc(-c2cc(OC(C)(C)C)c3ccc(OCC(C)(C)N)c(Cl)c3n2)cs1.CC(C)Nc1nc(-c2cc(OC(C)(C)C)c3ccc(OCCN4CCOCC4)c(Cl)c3n2)cs1.CC(C)Nc1nc(-c2cc(OC(C)(C)C)c3ccc(OCCN4CCOCC4)cc3n2)cs1.Cc1ccc2c(OC(C)(C)C)cc(-c3nc(NC(C)C)sc3Cl)nc2c1.[C-]#[N+]CCc1ccc2c(OC(C)C)cc(-c3csc(NC(C)C)n3)nc2c1Cl
• InChI: InChI=1S/C25H33ClN4O3S.C25H34N4O3S.C23H31ClN4O2S.C21H23ClN4OS.C20H24ClN3OS/c1-16(2)27-24-29-19(15-34-24)18-14-21(33-25(3,4)5)17-6-7-20(22(26)23(17)28-18)32-13-10-30-8-11-31-12-9-30;1-17(2)26-24-28-22(16-33-24)21-15-23(32-25(3,4)5)19-7-6-18(14-20(19)27-21)31-13-10-29-8-11-30-12-9-29;1-13(2)26-21-28-16(11-31-21)15-10-18(30-22(3,4)5)14-8-9-17(19(24)20(14)27-15)29-12-23(6,7)25;1-12(2)24-21-26-17(11-28-21)16-10-18(27-13(3)4)15-7-6-14(8-9-23-5)19(22)20(15)25-16;1-11(2)22-19-24-17(18(21)26-19)15-10-16(25-20(4,5)6)13-8-7-12(3)9-14(13)23-15/h6-7,14-16H,8-13H2,1-5H3,(H,27,29);6-7,14-17H,8-13H2,1-5H3,(H,26,28);8-11,13H,12,25H2,1-7H3,(H,26,28);6-7,10-13H,8-9H2,1-4H3,(H,24,26);7-11H,1-6H3,(H,22,24)
• InChIKey: JJYSMRWGJYCEJR-UHFFFAOYSA-N
• XLogP: 29.31
• TPSA: 318.21 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 33
• Rotatable Bonds: 34
• Heavy Atoms: 152
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2243.68
LogP ≤ 5	29.31
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	33

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-[7-(2-amino-2-methylpropoxy)-8-chloro-4-[(2-methylpropan-2-yl)oxy]quinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine;4-[8-chloro-7-(2-isocyanoethyl)-4-propan-2-yloxyquinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine;5-chloro-4-[7-methyl-4-[(2-methylpropan-2-yl)oxy]quinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine;4-[8-chloro-4-[(2-methylpropan-2-yl)oxy]-7-(2-morpholin-4-ylethoxy)quinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine;4-[4-[(2-methylpropan-2-yl)oxy]-7-(2-morpholin-4-ylethoxy)quinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine?

The IUPAC name of 4-[7-(2-amino-2-methylpropoxy)-8-chloro-4-[(2-methylpropan-2-yl)oxy]quinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine;4-[8-chloro-7-(2-isocyanoethyl)-4-propan-2-yloxyquinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine;5-chloro-4-[7-methyl-4-[(2-methylpropan-2-yl)oxy]quinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine;4-[8-chloro-4-[(2-methylpropan-2-yl)oxy]-7-(2-morpholin-4-ylethoxy)quinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine;4-[4-[(2-methylpropan-2-yl)oxy]-7-(2-morpholin-4-ylethoxy)quinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine (CID 158938619) is 4-[7-(2-amino-2-methylpropoxy)-8-chloro-4-[(2-methylpropan-2-yl)oxy]quinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine;4-[8-chloro-7-(2-isocyanoethyl)-4-propan-2-yloxyquinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine;5-chloro-4-[7-methyl-4-[(2-methylpropan-2-yl)oxy]quinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine;4-[8-chloro-4-[(2-methylpropan-2-yl)oxy]-7-(2-morpholin-4-ylethoxy)quinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine;4-[4-[(2-methylpropan-2-yl)oxy]-7-(2-morpholin-4-ylethoxy)quinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine.

What is the SMILES notation for 4-[7-(2-amino-2-methylpropoxy)-8-chloro-4-[(2-methylpropan-2-yl)oxy]quinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine;4-[8-chloro-7-(2-isocyanoethyl)-4-propan-2-yloxyquinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine;5-chloro-4-[7-methyl-4-[(2-methylpropan-2-yl)oxy]quinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine;4-[8-chloro-4-[(2-methylpropan-2-yl)oxy]-7-(2-morpholin-4-ylethoxy)quinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine;4-[4-[(2-methylpropan-2-yl)oxy]-7-(2-morpholin-4-ylethoxy)quinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine?

The canonical SMILES for 4-[7-(2-amino-2-methylpropoxy)-8-chloro-4-[(2-methylpropan-2-yl)oxy]quinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine;4-[8-chloro-7-(2-isocyanoethyl)-4-propan-2-yloxyquinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine;5-chloro-4-[7-methyl-4-[(2-methylpropan-2-yl)oxy]quinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine;4-[8-chloro-4-[(2-methylpropan-2-yl)oxy]-7-(2-morpholin-4-ylethoxy)quinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine;4-[4-[(2-methylpropan-2-yl)oxy]-7-(2-morpholin-4-ylethoxy)quinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine is CC(C)Nc1nc(-c2cc(OC(C)(C)C)c3ccc(OCC(C)(C)N)c(Cl)c3n2)cs1.CC(C)Nc1nc(-c2cc(OC(C)(C)C)c3ccc(OCCN4CCOCC4)c(Cl)c3n2)cs1.CC(C)Nc1nc(-c2cc(OC(C)(C)C)c3ccc(OCCN4CCOCC4)cc3n2)cs1.Cc1ccc2c(OC(C)(C)C)cc(-c3nc(NC(C)C)sc3Cl)nc2c1.[C-]#[N+]CCc1ccc2c(OC(C)C)cc(-c3csc(NC(C)C)n3)nc2c1Cl.

What is the InChIKey of 4-[7-(2-amino-2-methylpropoxy)-8-chloro-4-[(2-methylpropan-2-yl)oxy]quinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine;4-[8-chloro-7-(2-isocyanoethyl)-4-propan-2-yloxyquinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine;5-chloro-4-[7-methyl-4-[(2-methylpropan-2-yl)oxy]quinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine;4-[8-chloro-4-[(2-methylpropan-2-yl)oxy]-7-(2-morpholin-4-ylethoxy)quinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine;4-[4-[(2-methylpropan-2-yl)oxy]-7-(2-morpholin-4-ylethoxy)quinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine?

The InChIKey is JJYSMRWGJYCEJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33ClN4O3S.C25H34N4O3S.C23H31ClN4O2S.C21H23ClN4OS.C20H24ClN3OS/c1-16(2)27-24-29-19(15-34-24)18-14-21(33-25(3,4)5)17-6-7-20(22(26)23(17)28-18)32-13-10-30-8-11-31-12-9-30;1-17(2)26-24-28-22(16-33-24)21-15-23(32-25(3,4)5)19-7-6-18(14-20(19)27-21)31-13-10-29-8-11-30-12-9-29;1-13(2)26-21-28-16(11-31-21)15-10-18(30-22(3,4)5)14-8-9-17(19(24)20(14)27-15)29-12-23(6,7)25;1-12(2)24-21-26-17(11-28-21)16-10-18(27-13(3)4)15-7-6-14(8-9-23-5)19(22)20(15)25-16;1-11(2)22-19-24-17(18(21)26-19)15-10-16(25-20(4,5)6)13-8-7-12(3)9-14(13)23-15/h6-7,14-16H,8-13H2,1-5H3,(H,27,29);6-7,14-17H,8-13H2,1-5H3,(H,26,28);8-11,13H,12,25H2,1-7H3,(H,26,28);6-7,10-13H,8-9H2,1-4H3,(H,24,26);7-11H,1-6H3,(H,22,24).

What are the key properties of 4-[7-(2-amino-2-methylpropoxy)-8-chloro-4-[(2-methylpropan-2-yl)oxy]quinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine;4-[8-chloro-7-(2-isocyanoethyl)-4-propan-2-yloxyquinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine;5-chloro-4-[7-methyl-4-[(2-methylpropan-2-yl)oxy]quinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine;4-[8-chloro-4-[(2-methylpropan-2-yl)oxy]-7-(2-morpholin-4-ylethoxy)quinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine;4-[4-[(2-methylpropan-2-yl)oxy]-7-(2-morpholin-4-ylethoxy)quinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine?

4-[7-(2-amino-2-methylpropoxy)-8-chloro-4-[(2-methylpropan-2-yl)oxy]quinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine;4-[8-chloro-7-(2-isocyanoethyl)-4-propan-2-yloxyquinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine;5-chloro-4-[7-methyl-4-[(2-methylpropan-2-yl)oxy]quinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine;4-[8-chloro-4-[(2-methylpropan-2-yl)oxy]-7-(2-morpholin-4-ylethoxy)quinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine;4-[4-[(2-methylpropan-2-yl)oxy]-7-(2-morpholin-4-ylethoxy)quinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine has a molecular weight of 2243.68 g/mol, XLogP of 29.31, 34 rotatable bonds, 6 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[7-(2-amino-2-methylpropoxy)-8-chloro-4-[(2-methylpropan-2-yl)oxy]quinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine;4-[8-chloro-7-(2-isocyanoethyl)-4-propan-2-yloxyquinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine;5-chloro-4-[7-methyl-4-[(2-methylpropan-2-yl)oxy]quinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine;4-[8-chloro-4-[(2-methylpropan-2-yl)oxy]-7-(2-morpholin-4-ylethoxy)quinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine;4-[4-[(2-methylpropan-2-yl)oxy]-7-(2-morpholin-4-ylethoxy)quinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine is sourced from PubChem (CID 158938619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).