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-(isocyanomethylamino)-4-propan-2-yloxyquinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine;5-chloro-4-[7-methoxy-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

C113H144Cl4N20O11S5 — CID 157106065

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-(isocyanomethylamino)-4-propan-2-yloxyquinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine;5-chloro-4-[7-methoxy-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-(isocyanomethylamino)-4-propan-2-yloxyquinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine;5-chloro-4-[7-methoxy-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 157106065) has the molecular formula C113H144Cl4N20O11S5 and a molecular weight of 2260.67 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-(isocyanomethylamino)-4-propan-2-yloxyquinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine;5-chloro-4-[7-methoxy-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-(isocyanomethylamino)-4-propan-2-yloxyquinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine;5-chloro-4-[7-methoxy-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: 157106065
• Molecular Formula: C113H144Cl4N20O11S5
• Molecular Weight: 2260.67 g/mol
• Exact Mass: 2256.87
• 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-(isocyanomethylamino)-4-propan-2-yloxyquinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine;5-chloro-4-[7-methoxy-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.COc1ccc2c(OC(C)(C)C)cc(-c3nc(NC(C)C)sc3Cl)nc2c1.[C-]#[N+]CNc1ccc2c(OC(C)C)cc(-c3csc(NC(C)C)n3)nc2c1Cl
• InChI: InChI=1S/C25H33ClN4O3S.C25H34N4O3S.C23H31ClN4O2S.C20H22ClN5OS.C20H24ClN3O2S/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;1-11(2)24-20-26-16(9-28-20)15-8-17(27-12(3)4)13-6-7-14(23-10-22-5)18(21)19(13)25-15;1-11(2)22-19-24-17(18(21)27-19)15-10-16(26-20(3,4)5)13-8-7-12(25-6)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);6-9,11-12,23H,10H2,1-4H3,(H,24,26);7-11H,1-6H3,(H,22,24)
• InChIKey: AGHVBGUVGRYDCT-UHFFFAOYSA-N
• XLogP: 28.84
• TPSA: 339.47 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 35
• Rotatable Bonds: 35
• Heavy Atoms: 153
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2260.67
LogP ≤ 5	28.84
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	35

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-(isocyanomethylamino)-4-propan-2-yloxyquinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine;5-chloro-4-[7-methoxy-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-(isocyanomethylamino)-4-propan-2-yloxyquinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine;5-chloro-4-[7-methoxy-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 157106065) 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-(isocyanomethylamino)-4-propan-2-yloxyquinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine;5-chloro-4-[7-methoxy-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-(isocyanomethylamino)-4-propan-2-yloxyquinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine;5-chloro-4-[7-methoxy-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-(isocyanomethylamino)-4-propan-2-yloxyquinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine;5-chloro-4-[7-methoxy-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.COc1ccc2c(OC(C)(C)C)cc(-c3nc(NC(C)C)sc3Cl)nc2c1.[C-]#[N+]CNc1ccc2c(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-(isocyanomethylamino)-4-propan-2-yloxyquinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine;5-chloro-4-[7-methoxy-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 AGHVBGUVGRYDCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33ClN4O3S.C25H34N4O3S.C23H31ClN4O2S.C20H22ClN5OS.C20H24ClN3O2S/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;1-11(2)24-20-26-16(9-28-20)15-8-17(27-12(3)4)13-6-7-14(23-10-22-5)18(21)19(13)25-15;1-11(2)22-19-24-17(18(21)27-19)15-10-16(26-20(3,4)5)13-8-7-12(25-6)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);6-9,11-12,23H,10H2,1-4H3,(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-(isocyanomethylamino)-4-propan-2-yloxyquinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine;5-chloro-4-[7-methoxy-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-(isocyanomethylamino)-4-propan-2-yloxyquinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine;5-chloro-4-[7-methoxy-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 2260.67 g/mol, XLogP of 28.84, 35 rotatable bonds, 7 hydrogen bond donors, and 35 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-(isocyanomethylamino)-4-propan-2-yloxyquinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine;5-chloro-4-[7-methoxy-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 157106065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).