7-(2-amino-2-methylpropoxy)-8-chloro-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;pentakis(2-methylpropane);7-(2-morpholin-4-yl-2-oxoethoxy)-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]-1H-quinolin-4-one;2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]-7-[2-(2,2,2-trifluoroethylamino)ethoxy]-1H-quinolin-4-one

C117H164ClF3N20O13S5 — CID 161034697

About 7-(2-amino-2-methylpropoxy)-8-chloro-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;pentakis(2-methylpropane);7-(2-morpholin-4-yl-2-oxoethoxy)-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]-1H-quinolin-4-one;2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]-7-[2-(2,2,2-trifluoroethylamino)ethoxy]-1H-quinolin-4-one

7-(2-amino-2-methylpropoxy)-8-chloro-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;pentakis(2-methylpropane);7-(2-morpholin-4-yl-2-oxoethoxy)-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]-1H-quinolin-4-one;2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]-7-[2-(2,2,2-trifluoroethylamino)ethoxy]-1H-quinolin-4-one (PubChem CID 161034697) has the molecular formula C117H164ClF3N20O13S5 and a molecular weight of 2311.51 g/mol. Its IUPAC name is 7-(2-amino-2-methylpropoxy)-8-chloro-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;pentakis(2-methylpropane);7-(2-morpholin-4-yl-2-oxoethoxy)-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]-1H-quinolin-4-one;2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]-7-[2-(2,2,2-trifluoroethylamino)ethoxy]-1H-quinolin-4-one.

Molecular Properties

• Compound Name: 7-(2-amino-2-methylpropoxy)-8-chloro-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;pentakis(2-methylpropane);7-(2-morpholin-4-yl-2-oxoethoxy)-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]-1H-quinolin-4-one;2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]-7-[2-(2,2,2-trifluoroethylamino)ethoxy]-1H-quinolin-4-one
• PubChem CID: 161034697
• Molecular Formula: C117H164ClF3N20O13S5
• Molecular Weight: 2311.51 g/mol
• Exact Mass: 2309.10
• IUPAC Name: 7-(2-amino-2-methylpropoxy)-8-chloro-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;pentakis(2-methylpropane);7-(2-morpholin-4-yl-2-oxoethoxy)-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]-1H-quinolin-4-one;2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]-7-[2-(2,2,2-trifluoroethylamino)ethoxy]-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)c(Cl)c3[nH]2)cs1.CC(C)Nc1nc(-c2cc(=O)c3ccc(OCC(C)(C)N)cc3[nH]2)cs1.CC(C)Nc1nc(-c2cc(=O)c3ccc(OCCNCC(F)(F)F)cc3[nH]2)cs1
• InChI: InChI=1S/C21H24N4O4S.C19H23ClN4O2S.C19H21F3N4O2S.C19H22N4O3S.C19H24N4O2S.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;1-10(2)22-18-24-13(8-27-18)12-7-14(25)11-5-6-15(16(20)17(11)23-12)26-9-19(3,4)21;1-11(2)24-18-26-16(9-29-18)15-8-17(27)13-4-3-12(7-14(13)25-15)28-6-5-23-10-19(20,21)22;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;5*1-4(2)3/h3-4,9-10,12-13H,5-8,11H2,1-2H3,(H,22,24)(H,23,26);5-8,10H,9,21H2,1-4H3,(H,22,24)(H,23,25);3-4,7-9,11,23H,5-6,10H2,1-2H3,(H,24,26)(H,25,27);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*4H,1-3H3
• InChIKey: UACFWIMZHLOQBV-UHFFFAOYSA-N
• XLogP: 25.79
• TPSA: 448.97 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 31
• Rotatable Bonds: 32
• Heavy Atoms: 159
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2311.51
LogP ≤ 5	25.79
H-Bond Donors ≤ 5	13
H-Bond Acceptors ≤ 10	31

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 7-(2-amino-2-methylpropoxy)-8-chloro-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;pentakis(2-methylpropane);7-(2-morpholin-4-yl-2-oxoethoxy)-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]-1H-quinolin-4-one;2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]-7-[2-(2,2,2-trifluoroethylamino)ethoxy]-1H-quinolin-4-one?

The IUPAC name of 7-(2-amino-2-methylpropoxy)-8-chloro-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;pentakis(2-methylpropane);7-(2-morpholin-4-yl-2-oxoethoxy)-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]-1H-quinolin-4-one;2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]-7-[2-(2,2,2-trifluoroethylamino)ethoxy]-1H-quinolin-4-one (CID 161034697) is 7-(2-amino-2-methylpropoxy)-8-chloro-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;pentakis(2-methylpropane);7-(2-morpholin-4-yl-2-oxoethoxy)-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]-1H-quinolin-4-one;2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]-7-[2-(2,2,2-trifluoroethylamino)ethoxy]-1H-quinolin-4-one.

What is the SMILES notation for 7-(2-amino-2-methylpropoxy)-8-chloro-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;pentakis(2-methylpropane);7-(2-morpholin-4-yl-2-oxoethoxy)-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]-1H-quinolin-4-one;2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]-7-[2-(2,2,2-trifluoroethylamino)ethoxy]-1H-quinolin-4-one?

The canonical SMILES for 7-(2-amino-2-methylpropoxy)-8-chloro-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;pentakis(2-methylpropane);7-(2-morpholin-4-yl-2-oxoethoxy)-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]-1H-quinolin-4-one;2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]-7-[2-(2,2,2-trifluoroethylamino)ethoxy]-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)c(Cl)c3[nH]2)cs1.CC(C)Nc1nc(-c2cc(=O)c3ccc(OCC(C)(C)N)cc3[nH]2)cs1.CC(C)Nc1nc(-c2cc(=O)c3ccc(OCCNCC(F)(F)F)cc3[nH]2)cs1.

What is the InChIKey of 7-(2-amino-2-methylpropoxy)-8-chloro-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;pentakis(2-methylpropane);7-(2-morpholin-4-yl-2-oxoethoxy)-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]-1H-quinolin-4-one;2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]-7-[2-(2,2,2-trifluoroethylamino)ethoxy]-1H-quinolin-4-one?

The InChIKey is UACFWIMZHLOQBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O4S.C19H23ClN4O2S.C19H21F3N4O2S.C19H22N4O3S.C19H24N4O2S.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;1-10(2)22-18-24-13(8-27-18)12-7-14(25)11-5-6-15(16(20)17(11)23-12)26-9-19(3,4)21;1-11(2)24-18-26-16(9-29-18)15-8-17(27)13-4-3-12(7-14(13)25-15)28-6-5-23-10-19(20,21)22;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;5*1-4(2)3/h3-4,9-10,12-13H,5-8,11H2,1-2H3,(H,22,24)(H,23,26);5-8,10H,9,21H2,1-4H3,(H,22,24)(H,23,25);3-4,7-9,11,23H,5-6,10H2,1-2H3,(H,24,26)(H,25,27);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*4H,1-3H3.

What are the key properties of 7-(2-amino-2-methylpropoxy)-8-chloro-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;pentakis(2-methylpropane);7-(2-morpholin-4-yl-2-oxoethoxy)-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]-1H-quinolin-4-one;2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]-7-[2-(2,2,2-trifluoroethylamino)ethoxy]-1H-quinolin-4-one?

7-(2-amino-2-methylpropoxy)-8-chloro-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;pentakis(2-methylpropane);7-(2-morpholin-4-yl-2-oxoethoxy)-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]-1H-quinolin-4-one;2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]-7-[2-(2,2,2-trifluoroethylamino)ethoxy]-1H-quinolin-4-one has a molecular weight of 2311.51 g/mol, XLogP of 25.79, 32 rotatable bonds, 13 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for 7-(2-amino-2-methylpropoxy)-8-chloro-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;pentakis(2-methylpropane);7-(2-morpholin-4-yl-2-oxoethoxy)-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]-1H-quinolin-4-one;2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]-7-[2-(2,2,2-trifluoroethylamino)ethoxy]-1H-quinolin-4-one is sourced from PubChem (CID 161034697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).