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

C114H153Cl4N19O10S5 — CID 162220408

About 7-(2-amino-2-methylpropoxy)-8-chloro-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]-1H-quinolin-4-one;4-[8-chloro-7-(2-isocyanoethyl)-4-propan-2-yloxyquinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine;8-chloro-7-(2-morpholin-4-ylethoxy)-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]-1H-quinolin-4-one;2-[5-chloro-2-(propan-2-ylamino)-1,3-thiazol-4-yl]-7-methyl-1H-quinolin-4-one;tetrakis(2-methylpropane);7-(2-morpholin-4-ylethoxy)-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]-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;4-[8-chloro-7-(2-isocyanoethyl)-4-propan-2-yloxyquinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine;8-chloro-7-(2-morpholin-4-ylethoxy)-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]-1H-quinolin-4-one;2-[5-chloro-2-(propan-2-ylamino)-1,3-thiazol-4-yl]-7-methyl-1H-quinolin-4-one;tetrakis(2-methylpropane);7-(2-morpholin-4-ylethoxy)-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]-1H-quinolin-4-one (PubChem CID 162220408) has the molecular formula C114H153Cl4N19O10S5 and a molecular weight of 2251.75 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;4-[8-chloro-7-(2-isocyanoethyl)-4-propan-2-yloxyquinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine;8-chloro-7-(2-morpholin-4-ylethoxy)-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]-1H-quinolin-4-one;2-[5-chloro-2-(propan-2-ylamino)-1,3-thiazol-4-yl]-7-methyl-1H-quinolin-4-one;tetrakis(2-methylpropane);7-(2-morpholin-4-ylethoxy)-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]-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;4-[8-chloro-7-(2-isocyanoethyl)-4-propan-2-yloxyquinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine;8-chloro-7-(2-morpholin-4-ylethoxy)-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]-1H-quinolin-4-one;2-[5-chloro-2-(propan-2-ylamino)-1,3-thiazol-4-yl]-7-methyl-1H-quinolin-4-one;tetrakis(2-methylpropane);7-(2-morpholin-4-ylethoxy)-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]-1H-quinolin-4-one
• PubChem CID: 162220408
• Molecular Formula: C114H153Cl4N19O10S5
• Molecular Weight: 2251.75 g/mol
• Exact Mass: 2247.94
• IUPAC Name: 7-(2-amino-2-methylpropoxy)-8-chloro-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]-1H-quinolin-4-one;4-[8-chloro-7-(2-isocyanoethyl)-4-propan-2-yloxyquinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine;8-chloro-7-(2-morpholin-4-ylethoxy)-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]-1H-quinolin-4-one;2-[5-chloro-2-(propan-2-ylamino)-1,3-thiazol-4-yl]-7-methyl-1H-quinolin-4-one;tetrakis(2-methylpropane);7-(2-morpholin-4-ylethoxy)-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)Nc1nc(-c2cc(=O)c3ccc(OCC(C)(C)N)c(Cl)c3[nH]2)cs1.CC(C)Nc1nc(-c2cc(=O)c3ccc(OCCN4CCOCC4)c(Cl)c3[nH]2)cs1.CC(C)Nc1nc(-c2cc(=O)c3ccc(OCCN4CCOCC4)cc3[nH]2)cs1.Cc1ccc2c(=O)cc(-c3nc(NC(C)C)sc3Cl)[nH]c2c1.[C-]#[N+]CCc1ccc2c(OC(C)C)cc(-c3csc(NC(C)C)n3)nc2c1Cl
• InChI: InChI=1S/C21H25ClN4O3S.C21H23ClN4OS.C21H26N4O3S.C19H23ClN4O2S.C16H16ClN3OS.4C4H10/c1-13(2)23-21-25-16(12-30-21)15-11-17(27)14-3-4-18(19(22)20(14)24-15)29-10-7-26-5-8-28-9-6-26;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;1-14(2)22-21-24-19(13-29-21)18-12-20(26)16-4-3-15(11-17(16)23-18)28-10-7-25-5-8-27-9-6-25;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;1-8(2)18-16-20-14(15(17)22-16)12-7-13(21)10-5-4-9(3)6-11(10)19-12;4*1-4(2)3/h3-4,11-13H,5-10H2,1-2H3,(H,23,25)(H,24,27);6-7,10-13H,8-9H2,1-4H3,(H,24,26);3-4,11-14H,5-10H2,1-2H3,(H,22,24)(H,23,26);5-8,10H,9,21H2,1-4H3,(H,22,24)(H,23,25);4-8H,1-3H3,(H,18,20)(H,19,21);4*4H,1-3H3
• InChIKey: ZUARHAWERCPLHL-UHFFFAOYSA-N
• XLogP: 28.42
• TPSA: 361.17 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 29
• Rotatable Bonds: 30
• Heavy Atoms: 152
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2251.75
LogP ≤ 5	28.42
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	29

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', '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;4-[8-chloro-7-(2-isocyanoethyl)-4-propan-2-yloxyquinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine;8-chloro-7-(2-morpholin-4-ylethoxy)-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]-1H-quinolin-4-one;2-[5-chloro-2-(propan-2-ylamino)-1,3-thiazol-4-yl]-7-methyl-1H-quinolin-4-one;tetrakis(2-methylpropane);7-(2-morpholin-4-ylethoxy)-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]-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;4-[8-chloro-7-(2-isocyanoethyl)-4-propan-2-yloxyquinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine;8-chloro-7-(2-morpholin-4-ylethoxy)-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]-1H-quinolin-4-one;2-[5-chloro-2-(propan-2-ylamino)-1,3-thiazol-4-yl]-7-methyl-1H-quinolin-4-one;tetrakis(2-methylpropane);7-(2-morpholin-4-ylethoxy)-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]-1H-quinolin-4-one (CID 162220408) is 7-(2-amino-2-methylpropoxy)-8-chloro-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]-1H-quinolin-4-one;4-[8-chloro-7-(2-isocyanoethyl)-4-propan-2-yloxyquinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine;8-chloro-7-(2-morpholin-4-ylethoxy)-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]-1H-quinolin-4-one;2-[5-chloro-2-(propan-2-ylamino)-1,3-thiazol-4-yl]-7-methyl-1H-quinolin-4-one;tetrakis(2-methylpropane);7-(2-morpholin-4-ylethoxy)-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)-8-chloro-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]-1H-quinolin-4-one;4-[8-chloro-7-(2-isocyanoethyl)-4-propan-2-yloxyquinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine;8-chloro-7-(2-morpholin-4-ylethoxy)-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]-1H-quinolin-4-one;2-[5-chloro-2-(propan-2-ylamino)-1,3-thiazol-4-yl]-7-methyl-1H-quinolin-4-one;tetrakis(2-methylpropane);7-(2-morpholin-4-ylethoxy)-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]-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;4-[8-chloro-7-(2-isocyanoethyl)-4-propan-2-yloxyquinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine;8-chloro-7-(2-morpholin-4-ylethoxy)-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]-1H-quinolin-4-one;2-[5-chloro-2-(propan-2-ylamino)-1,3-thiazol-4-yl]-7-methyl-1H-quinolin-4-one;tetrakis(2-methylpropane);7-(2-morpholin-4-ylethoxy)-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)Nc1nc(-c2cc(=O)c3ccc(OCC(C)(C)N)c(Cl)c3[nH]2)cs1.CC(C)Nc1nc(-c2cc(=O)c3ccc(OCCN4CCOCC4)c(Cl)c3[nH]2)cs1.CC(C)Nc1nc(-c2cc(=O)c3ccc(OCCN4CCOCC4)cc3[nH]2)cs1.Cc1ccc2c(=O)cc(-c3nc(NC(C)C)sc3Cl)[nH]c2c1.[C-]#[N+]CCc1ccc2c(OC(C)C)cc(-c3csc(NC(C)C)n3)nc2c1Cl.

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;4-[8-chloro-7-(2-isocyanoethyl)-4-propan-2-yloxyquinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine;8-chloro-7-(2-morpholin-4-ylethoxy)-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]-1H-quinolin-4-one;2-[5-chloro-2-(propan-2-ylamino)-1,3-thiazol-4-yl]-7-methyl-1H-quinolin-4-one;tetrakis(2-methylpropane);7-(2-morpholin-4-ylethoxy)-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]-1H-quinolin-4-one?

The InChIKey is ZUARHAWERCPLHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClN4O3S.C21H23ClN4OS.C21H26N4O3S.C19H23ClN4O2S.C16H16ClN3OS.4C4H10/c1-13(2)23-21-25-16(12-30-21)15-11-17(27)14-3-4-18(19(22)20(14)24-15)29-10-7-26-5-8-28-9-6-26;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;1-14(2)22-21-24-19(13-29-21)18-12-20(26)16-4-3-15(11-17(16)23-18)28-10-7-25-5-8-27-9-6-25;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;1-8(2)18-16-20-14(15(17)22-16)12-7-13(21)10-5-4-9(3)6-11(10)19-12;4*1-4(2)3/h3-4,11-13H,5-10H2,1-2H3,(H,23,25)(H,24,27);6-7,10-13H,8-9H2,1-4H3,(H,24,26);3-4,11-14H,5-10H2,1-2H3,(H,22,24)(H,23,26);5-8,10H,9,21H2,1-4H3,(H,22,24)(H,23,25);4-8H,1-3H3,(H,18,20)(H,19,21);4*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;4-[8-chloro-7-(2-isocyanoethyl)-4-propan-2-yloxyquinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine;8-chloro-7-(2-morpholin-4-ylethoxy)-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]-1H-quinolin-4-one;2-[5-chloro-2-(propan-2-ylamino)-1,3-thiazol-4-yl]-7-methyl-1H-quinolin-4-one;tetrakis(2-methylpropane);7-(2-morpholin-4-ylethoxy)-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]-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;4-[8-chloro-7-(2-isocyanoethyl)-4-propan-2-yloxyquinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine;8-chloro-7-(2-morpholin-4-ylethoxy)-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]-1H-quinolin-4-one;2-[5-chloro-2-(propan-2-ylamino)-1,3-thiazol-4-yl]-7-methyl-1H-quinolin-4-one;tetrakis(2-methylpropane);7-(2-morpholin-4-ylethoxy)-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]-1H-quinolin-4-one has a molecular weight of 2251.75 g/mol, XLogP of 28.42, 30 rotatable bonds, 10 hydrogen bond donors, and 29 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;4-[8-chloro-7-(2-isocyanoethyl)-4-propan-2-yloxyquinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine;8-chloro-7-(2-morpholin-4-ylethoxy)-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]-1H-quinolin-4-one;2-[5-chloro-2-(propan-2-ylamino)-1,3-thiazol-4-yl]-7-methyl-1H-quinolin-4-one;tetrakis(2-methylpropane);7-(2-morpholin-4-ylethoxy)-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]-1H-quinolin-4-one is sourced from PubChem (CID 162220408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).