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;N-[2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]-4-propan-2-yloxyquinolin-7-yl]methanesulfonamide

C109H137Cl3N20O12S6 — CID 159518115

About 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;N-[2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]-4-propan-2-yloxyquinolin-7-yl]methanesulfonamide

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;N-[2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]-4-propan-2-yloxyquinolin-7-yl]methanesulfonamide (PubChem CID 159518115) has the molecular formula C109H137Cl3N20O12S6 and a molecular weight of 2218.18 g/mol. Its IUPAC name is 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;N-[2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]-4-propan-2-yloxyquinolin-7-yl]methanesulfonamide.

Molecular Properties

• Compound Name: 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;N-[2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]-4-propan-2-yloxyquinolin-7-yl]methanesulfonamide
• PubChem CID: 159518115
• Molecular Formula: C109H137Cl3N20O12S6
• Molecular Weight: 2218.18 g/mol
• Exact Mass: 2214.81
• IUPAC Name: 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;N-[2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]-4-propan-2-yloxyquinolin-7-yl]methanesulfonamide
• SMILES: 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.CC(C)Nc1nc(-c2cc(OC(C)C)c3ccc(NS(C)(=O)=O)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.C20H22ClN5OS.C20H24ClN3O2S.C19H24N4O3S2/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;1-11(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;1-11(2)20-19-22-17(10-27-19)16-9-18(26-12(3)4)14-7-6-13(8-15(14)21-16)23-28(5,24)25/h6-7,14-16H,8-13H2,1-5H3,(H,27,29);6-7,14-17H,8-13H2,1-5H3,(H,26,28);6-9,11-12,23H,10H2,1-4H3,(H,24,26);7-11H,1-6H3,(H,22,24);6-12,23H,1-5H3,(H,20,22)
• InChIKey: MBLSBCULCMEHJA-UHFFFAOYSA-N
• XLogP: 27.05
• TPSA: 350.39 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 35
• Rotatable Bonds: 35
• Heavy Atoms: 150
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2218.18
LogP ≤ 5	27.05
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-[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;N-[2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]-4-propan-2-yloxyquinolin-7-yl]methanesulfonamide?

The IUPAC name of 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;N-[2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]-4-propan-2-yloxyquinolin-7-yl]methanesulfonamide (CID 159518115) is 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;N-[2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]-4-propan-2-yloxyquinolin-7-yl]methanesulfonamide.

What is the SMILES notation for 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;N-[2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]-4-propan-2-yloxyquinolin-7-yl]methanesulfonamide?

The canonical SMILES for 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;N-[2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]-4-propan-2-yloxyquinolin-7-yl]methanesulfonamide is 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.CC(C)Nc1nc(-c2cc(OC(C)C)c3ccc(NS(C)(=O)=O)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-[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;N-[2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]-4-propan-2-yloxyquinolin-7-yl]methanesulfonamide?

The InChIKey is MBLSBCULCMEHJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33ClN4O3S.C25H34N4O3S.C20H22ClN5OS.C20H24ClN3O2S.C19H24N4O3S2/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;1-11(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;1-11(2)20-19-22-17(10-27-19)16-9-18(26-12(3)4)14-7-6-13(8-15(14)21-16)23-28(5,24)25/h6-7,14-16H,8-13H2,1-5H3,(H,27,29);6-7,14-17H,8-13H2,1-5H3,(H,26,28);6-9,11-12,23H,10H2,1-4H3,(H,24,26);7-11H,1-6H3,(H,22,24);6-12,23H,1-5H3,(H,20,22).

What are the key properties of 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;N-[2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]-4-propan-2-yloxyquinolin-7-yl]methanesulfonamide?

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;N-[2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]-4-propan-2-yloxyquinolin-7-yl]methanesulfonamide has a molecular weight of 2218.18 g/mol, XLogP of 27.05, 35 rotatable bonds, 7 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for 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;N-[2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]-4-propan-2-yloxyquinolin-7-yl]methanesulfonamide is sourced from PubChem (CID 159518115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).