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

C96H134Cl2N16O12S4 — CID 161221727

About 7-(2-amino-2-methylpropoxy)-8-chloro-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]-1H-quinolin-4-one;8-chloro-7-(2-morpholin-4-yl-2-oxoethoxy)-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]-1H-quinolin-4-one;7-[2-(ethylamino)ethoxy]-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]-1H-quinolin-4-one;tetrakis(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)-8-chloro-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]-1H-quinolin-4-one;8-chloro-7-(2-morpholin-4-yl-2-oxoethoxy)-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]-1H-quinolin-4-one;7-[2-(ethylamino)ethoxy]-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]-1H-quinolin-4-one;tetrakis(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 161221727) has the molecular formula C96H134Cl2N16O12S4 and a molecular weight of 1903.40 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;8-chloro-7-(2-morpholin-4-yl-2-oxoethoxy)-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]-1H-quinolin-4-one;7-[2-(ethylamino)ethoxy]-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]-1H-quinolin-4-one;tetrakis(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)-8-chloro-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]-1H-quinolin-4-one;8-chloro-7-(2-morpholin-4-yl-2-oxoethoxy)-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]-1H-quinolin-4-one;7-[2-(ethylamino)ethoxy]-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]-1H-quinolin-4-one;tetrakis(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: 161221727
• Molecular Formula: C96H134Cl2N16O12S4
• Molecular Weight: 1903.40 g/mol
• Exact Mass: 1900.86
• IUPAC Name: 7-(2-amino-2-methylpropoxy)-8-chloro-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]-1H-quinolin-4-one;8-chloro-7-(2-morpholin-4-yl-2-oxoethoxy)-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]-1H-quinolin-4-one;7-[2-(ethylamino)ethoxy]-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]-1H-quinolin-4-one;tetrakis(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)Nc1nc(-c2cc(=O)c3ccc(OCC(=O)N4CCOCC4)c(Cl)c3[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.CCNCCOc1ccc2c(=O)cc(-c3csc(NC(C)C)n3)[nH]c2c1
• InChI: InChI=1S/C21H23ClN4O4S.C21H24N4O4S.C19H23ClN4O2S.C19H24N4O2S.4C4H10/c1-12(2)23-21-25-15(11-31-21)14-9-16(27)13-3-4-17(19(22)20(13)24-14)30-10-18(28)26-5-7-29-8-6-26;1-13(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;1-4-20-7-8-25-13-5-6-14-15(9-13)22-16(10-18(14)24)17-11-26-19(23-17)21-12(2)3;4*1-4(2)3/h3-4,9,11-12H,5-8,10H2,1-2H3,(H,23,25)(H,24,27);3-4,9-10,12-13H,5-8,11H2,1-2H3,(H,22,24)(H,23,26);5-8,10H,9,21H2,1-4H3,(H,22,24)(H,23,25);5-6,9-12,20H,4,7-8H2,1-3H3,(H,21,23)(H,22,24);4*4H,1-3H3
• InChIKey: UXPJEETYHZLYAP-UHFFFAOYSA-N
• XLogP: 20.42
• TPSA: 365.17 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 26
• Rotatable Bonds: 26
• Heavy Atoms: 130
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1903.40
LogP ≤ 5	20.42
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	26

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;8-chloro-7-(2-morpholin-4-yl-2-oxoethoxy)-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]-1H-quinolin-4-one;7-[2-(ethylamino)ethoxy]-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]-1H-quinolin-4-one;tetrakis(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)-8-chloro-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]-1H-quinolin-4-one;8-chloro-7-(2-morpholin-4-yl-2-oxoethoxy)-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]-1H-quinolin-4-one;7-[2-(ethylamino)ethoxy]-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]-1H-quinolin-4-one;tetrakis(2-methylpropane);7-(2-morpholin-4-yl-2-oxoethoxy)-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]-1H-quinolin-4-one (CID 161221727) is 7-(2-amino-2-methylpropoxy)-8-chloro-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]-1H-quinolin-4-one;8-chloro-7-(2-morpholin-4-yl-2-oxoethoxy)-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]-1H-quinolin-4-one;7-[2-(ethylamino)ethoxy]-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]-1H-quinolin-4-one;tetrakis(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)-8-chloro-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]-1H-quinolin-4-one;8-chloro-7-(2-morpholin-4-yl-2-oxoethoxy)-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]-1H-quinolin-4-one;7-[2-(ethylamino)ethoxy]-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]-1H-quinolin-4-one;tetrakis(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)-8-chloro-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]-1H-quinolin-4-one;8-chloro-7-(2-morpholin-4-yl-2-oxoethoxy)-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]-1H-quinolin-4-one;7-[2-(ethylamino)ethoxy]-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]-1H-quinolin-4-one;tetrakis(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)Nc1nc(-c2cc(=O)c3ccc(OCC(=O)N4CCOCC4)c(Cl)c3[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.CCNCCOc1ccc2c(=O)cc(-c3csc(NC(C)C)n3)[nH]c2c1.

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;8-chloro-7-(2-morpholin-4-yl-2-oxoethoxy)-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]-1H-quinolin-4-one;7-[2-(ethylamino)ethoxy]-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]-1H-quinolin-4-one;tetrakis(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 UXPJEETYHZLYAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN4O4S.C21H24N4O4S.C19H23ClN4O2S.C19H24N4O2S.4C4H10/c1-12(2)23-21-25-15(11-31-21)14-9-16(27)13-3-4-17(19(22)20(13)24-14)30-10-18(28)26-5-7-29-8-6-26;1-13(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;1-4-20-7-8-25-13-5-6-14-15(9-13)22-16(10-18(14)24)17-11-26-19(23-17)21-12(2)3;4*1-4(2)3/h3-4,9,11-12H,5-8,10H2,1-2H3,(H,23,25)(H,24,27);3-4,9-10,12-13H,5-8,11H2,1-2H3,(H,22,24)(H,23,26);5-8,10H,9,21H2,1-4H3,(H,22,24)(H,23,25);5-6,9-12,20H,4,7-8H2,1-3H3,(H,21,23)(H,22,24);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;8-chloro-7-(2-morpholin-4-yl-2-oxoethoxy)-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]-1H-quinolin-4-one;7-[2-(ethylamino)ethoxy]-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]-1H-quinolin-4-one;tetrakis(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)-8-chloro-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]-1H-quinolin-4-one;8-chloro-7-(2-morpholin-4-yl-2-oxoethoxy)-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]-1H-quinolin-4-one;7-[2-(ethylamino)ethoxy]-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]-1H-quinolin-4-one;tetrakis(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 1903.40 g/mol, XLogP of 20.42, 26 rotatable bonds, 10 hydrogen bond donors, and 26 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;8-chloro-7-(2-morpholin-4-yl-2-oxoethoxy)-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]-1H-quinolin-4-one;7-[2-(ethylamino)ethoxy]-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]-1H-quinolin-4-one;tetrakis(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 161221727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).