7-(2-amino-2-methylpropoxy)-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]-1H-quinolin-4-one;N,N-dimethyl-2-[[4-oxo-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]-1H-quinolin-7-yl]oxy]acetamide;7-(2-hydroxy-2-methylpropoxy)-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]-1H-quinolin-4-one;7-methyl-2-(6-methylpyrazin-2-yl)-1H-quinolin-4-one;pentakis(2-methylpropane);7-(2-morpholin-4-yl-2-oxoethoxy)-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]-1H-quinolin-4-one

C113H156N18O13S4 — CID 159824588

About 7-(2-amino-2-methylpropoxy)-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]-1H-quinolin-4-one;N,N-dimethyl-2-[[4-oxo-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]-1H-quinolin-7-yl]oxy]acetamide;7-(2-hydroxy-2-methylpropoxy)-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]-1H-quinolin-4-one;7-methyl-2-(6-methylpyrazin-2-yl)-1H-quinolin-4-one;pentakis(2-methylpropane);7-(2-morpholin-4-yl-2-oxoethoxy)-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]-1H-quinolin-4-one

7-(2-amino-2-methylpropoxy)-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]-1H-quinolin-4-one;N,N-dimethyl-2-[[4-oxo-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]-1H-quinolin-7-yl]oxy]acetamide;7-(2-hydroxy-2-methylpropoxy)-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]-1H-quinolin-4-one;7-methyl-2-(6-methylpyrazin-2-yl)-1H-quinolin-4-one;pentakis(2-methylpropane);7-(2-morpholin-4-yl-2-oxoethoxy)-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]-1H-quinolin-4-one (PubChem CID 159824588) has the molecular formula C113H156N18O13S4 and a molecular weight of 2102.87 g/mol. Its IUPAC name is 7-(2-amino-2-methylpropoxy)-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]-1H-quinolin-4-one;N,N-dimethyl-2-[[4-oxo-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]-1H-quinolin-7-yl]oxy]acetamide;7-(2-hydroxy-2-methylpropoxy)-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]-1H-quinolin-4-one;7-methyl-2-(6-methylpyrazin-2-yl)-1H-quinolin-4-one;pentakis(2-methylpropane);7-(2-morpholin-4-yl-2-oxoethoxy)-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]-1H-quinolin-4-one.

Molecular Properties

• Compound Name: 7-(2-amino-2-methylpropoxy)-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]-1H-quinolin-4-one;N,N-dimethyl-2-[[4-oxo-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]-1H-quinolin-7-yl]oxy]acetamide;7-(2-hydroxy-2-methylpropoxy)-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]-1H-quinolin-4-one;7-methyl-2-(6-methylpyrazin-2-yl)-1H-quinolin-4-one;pentakis(2-methylpropane);7-(2-morpholin-4-yl-2-oxoethoxy)-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]-1H-quinolin-4-one
• PubChem CID: 159824588
• Molecular Formula: C113H156N18O13S4
• Molecular Weight: 2102.87 g/mol
• Exact Mass: 2101.10
• IUPAC Name: 7-(2-amino-2-methylpropoxy)-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]-1H-quinolin-4-one;N,N-dimethyl-2-[[4-oxo-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]-1H-quinolin-7-yl]oxy]acetamide;7-(2-hydroxy-2-methylpropoxy)-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]-1H-quinolin-4-one;7-methyl-2-(6-methylpyrazin-2-yl)-1H-quinolin-4-one;pentakis(2-methylpropane);7-(2-morpholin-4-yl-2-oxoethoxy)-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]-1H-quinolin-4-one
• SMILES: CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)Nc1nc(-c2cc(=O)c3ccc(OCC(=O)N(C)C)cc3[nH]2)cs1.CC(C)Nc1nc(-c2cc(=O)c3ccc(OCC(=O)N4CCOCC4)cc3[nH]2)cs1.CC(C)Nc1nc(-c2cc(=O)c3ccc(OCC(C)(C)N)cc3[nH]2)cs1.CC(C)Nc1nc(-c2cc(=O)c3ccc(OCC(C)(C)O)cc3[nH]2)cs1.Cc1ccc2c(=O)cc(-c3cncc(C)n3)[nH]c2c1
• InChI: InChI=1S/C21H24N4O4S.C19H22N4O3S.C19H24N4O2S.C19H23N3O3S.C15H13N3O.5C4H10/c1-13(2)22-21-24-18(12-30-21)17-10-19(26)15-4-3-14(9-16(15)23-17)29-11-20(27)25-5-7-28-8-6-25;1-11(2)20-19-22-16(10-27-19)15-8-17(24)13-6-5-12(7-14(13)21-15)26-9-18(25)23(3)4;1-11(2)21-18-23-16(9-26-18)15-8-17(24)13-6-5-12(7-14(13)22-15)25-10-19(3,4)20;1-11(2)20-18-22-16(9-26-18)15-8-17(23)13-6-5-12(7-14(13)21-15)25-10-19(3,4)24;1-9-3-4-11-12(5-9)18-13(6-15(11)19)14-8-16-7-10(2)17-14;5*1-4(2)3/h3-4,9-10,12-13H,5-8,11H2,1-2H3,(H,22,24)(H,23,26);5-8,10-11H,9H2,1-4H3,(H,20,22)(H,21,24);5-9,11H,10,20H2,1-4H3,(H,21,23)(H,22,24);5-9,11,24H,10H2,1-4H3,(H,20,22)(H,21,23);3-8H,1-2H3,(H,18,19);5*4H,1-3H3
• InChIKey: NMRAMGLVEUXPJE-UHFFFAOYSA-N
• XLogP: 23.77
• TPSA: 422.78 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 28
• Rotatable Bonds: 25
• Heavy Atoms: 148
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2102.87
LogP ≤ 5	23.77
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	28

Frequently Asked Questions

What is the IUPAC name of 7-(2-amino-2-methylpropoxy)-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]-1H-quinolin-4-one;N,N-dimethyl-2-[[4-oxo-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]-1H-quinolin-7-yl]oxy]acetamide;7-(2-hydroxy-2-methylpropoxy)-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]-1H-quinolin-4-one;7-methyl-2-(6-methylpyrazin-2-yl)-1H-quinolin-4-one;pentakis(2-methylpropane);7-(2-morpholin-4-yl-2-oxoethoxy)-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]-1H-quinolin-4-one?

The IUPAC name of 7-(2-amino-2-methylpropoxy)-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]-1H-quinolin-4-one;N,N-dimethyl-2-[[4-oxo-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]-1H-quinolin-7-yl]oxy]acetamide;7-(2-hydroxy-2-methylpropoxy)-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]-1H-quinolin-4-one;7-methyl-2-(6-methylpyrazin-2-yl)-1H-quinolin-4-one;pentakis(2-methylpropane);7-(2-morpholin-4-yl-2-oxoethoxy)-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]-1H-quinolin-4-one (CID 159824588) is 7-(2-amino-2-methylpropoxy)-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]-1H-quinolin-4-one;N,N-dimethyl-2-[[4-oxo-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]-1H-quinolin-7-yl]oxy]acetamide;7-(2-hydroxy-2-methylpropoxy)-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]-1H-quinolin-4-one;7-methyl-2-(6-methylpyrazin-2-yl)-1H-quinolin-4-one;pentakis(2-methylpropane);7-(2-morpholin-4-yl-2-oxoethoxy)-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]-1H-quinolin-4-one.

What is the SMILES notation for 7-(2-amino-2-methylpropoxy)-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]-1H-quinolin-4-one;N,N-dimethyl-2-[[4-oxo-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]-1H-quinolin-7-yl]oxy]acetamide;7-(2-hydroxy-2-methylpropoxy)-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]-1H-quinolin-4-one;7-methyl-2-(6-methylpyrazin-2-yl)-1H-quinolin-4-one;pentakis(2-methylpropane);7-(2-morpholin-4-yl-2-oxoethoxy)-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]-1H-quinolin-4-one?

The canonical SMILES for 7-(2-amino-2-methylpropoxy)-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]-1H-quinolin-4-one;N,N-dimethyl-2-[[4-oxo-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]-1H-quinolin-7-yl]oxy]acetamide;7-(2-hydroxy-2-methylpropoxy)-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]-1H-quinolin-4-one;7-methyl-2-(6-methylpyrazin-2-yl)-1H-quinolin-4-one;pentakis(2-methylpropane);7-(2-morpholin-4-yl-2-oxoethoxy)-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]-1H-quinolin-4-one is CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)Nc1nc(-c2cc(=O)c3ccc(OCC(=O)N(C)C)cc3[nH]2)cs1.CC(C)Nc1nc(-c2cc(=O)c3ccc(OCC(=O)N4CCOCC4)cc3[nH]2)cs1.CC(C)Nc1nc(-c2cc(=O)c3ccc(OCC(C)(C)N)cc3[nH]2)cs1.CC(C)Nc1nc(-c2cc(=O)c3ccc(OCC(C)(C)O)cc3[nH]2)cs1.Cc1ccc2c(=O)cc(-c3cncc(C)n3)[nH]c2c1.

What is the InChIKey of 7-(2-amino-2-methylpropoxy)-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]-1H-quinolin-4-one;N,N-dimethyl-2-[[4-oxo-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]-1H-quinolin-7-yl]oxy]acetamide;7-(2-hydroxy-2-methylpropoxy)-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]-1H-quinolin-4-one;7-methyl-2-(6-methylpyrazin-2-yl)-1H-quinolin-4-one;pentakis(2-methylpropane);7-(2-morpholin-4-yl-2-oxoethoxy)-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]-1H-quinolin-4-one?

The InChIKey is NMRAMGLVEUXPJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O4S.C19H22N4O3S.C19H24N4O2S.C19H23N3O3S.C15H13N3O.5C4H10/c1-13(2)22-21-24-18(12-30-21)17-10-19(26)15-4-3-14(9-16(15)23-17)29-11-20(27)25-5-7-28-8-6-25;1-11(2)20-19-22-16(10-27-19)15-8-17(24)13-6-5-12(7-14(13)21-15)26-9-18(25)23(3)4;1-11(2)21-18-23-16(9-26-18)15-8-17(24)13-6-5-12(7-14(13)22-15)25-10-19(3,4)20;1-11(2)20-18-22-16(9-26-18)15-8-17(23)13-6-5-12(7-14(13)21-15)25-10-19(3,4)24;1-9-3-4-11-12(5-9)18-13(6-15(11)19)14-8-16-7-10(2)17-14;5*1-4(2)3/h3-4,9-10,12-13H,5-8,11H2,1-2H3,(H,22,24)(H,23,26);5-8,10-11H,9H2,1-4H3,(H,20,22)(H,21,24);5-9,11H,10,20H2,1-4H3,(H,21,23)(H,22,24);5-9,11,24H,10H2,1-4H3,(H,20,22)(H,21,23);3-8H,1-2H3,(H,18,19);5*4H,1-3H3.

What are the key properties of 7-(2-amino-2-methylpropoxy)-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]-1H-quinolin-4-one;N,N-dimethyl-2-[[4-oxo-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]-1H-quinolin-7-yl]oxy]acetamide;7-(2-hydroxy-2-methylpropoxy)-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]-1H-quinolin-4-one;7-methyl-2-(6-methylpyrazin-2-yl)-1H-quinolin-4-one;pentakis(2-methylpropane);7-(2-morpholin-4-yl-2-oxoethoxy)-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]-1H-quinolin-4-one?

7-(2-amino-2-methylpropoxy)-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]-1H-quinolin-4-one;N,N-dimethyl-2-[[4-oxo-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]-1H-quinolin-7-yl]oxy]acetamide;7-(2-hydroxy-2-methylpropoxy)-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]-1H-quinolin-4-one;7-methyl-2-(6-methylpyrazin-2-yl)-1H-quinolin-4-one;pentakis(2-methylpropane);7-(2-morpholin-4-yl-2-oxoethoxy)-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]-1H-quinolin-4-one has a molecular weight of 2102.87 g/mol, XLogP of 23.77, 25 rotatable bonds, 11 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 7-(2-amino-2-methylpropoxy)-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]-1H-quinolin-4-one;N,N-dimethyl-2-[[4-oxo-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]-1H-quinolin-7-yl]oxy]acetamide;7-(2-hydroxy-2-methylpropoxy)-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]-1H-quinolin-4-one;7-methyl-2-(6-methylpyrazin-2-yl)-1H-quinolin-4-one;pentakis(2-methylpropane);7-(2-morpholin-4-yl-2-oxoethoxy)-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]-1H-quinolin-4-one is sourced from PubChem (CID 159824588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).