4-[8-chloro-7-(2-isocyanoethyl)-4-propan-2-yloxyquinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine;5-chloro-4-[7-methyl-4-[(2-methylpropan-2-yl)oxy]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;4-[7-(methylsulfanylmethyl)-4-propan-2-yloxyquinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine;molecular oxygen

C₈₆H₁₀₆Cl₂N₁₄O₈S₅ — CID 158412177

About 4-[8-chloro-7-(2-isocyanoethyl)-4-propan-2-yloxyquinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine;5-chloro-4-[7-methyl-4-[(2-methylpropan-2-yl)oxy]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;4-[7-(methylsulfanylmethyl)-4-propan-2-yloxyquinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine;molecular oxygen

4-[8-chloro-7-(2-isocyanoethyl)-4-propan-2-yloxyquinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine;5-chloro-4-[7-methyl-4-[(2-methylpropan-2-yl)oxy]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;4-[7-(methylsulfanylmethyl)-4-propan-2-yloxyquinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine;molecular oxygen (PubChem CID 158412177) has the molecular formula C₈₆H₁₀₆Cl₂N₁₄O₈S₅ and a molecular weight of 1695.12 g/mol. Its IUPAC name is 4-[8-chloro-7-(2-isocyanoethyl)-4-propan-2-yloxyquinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine;5-chloro-4-[7-methyl-4-[(2-methylpropan-2-yl)oxy]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;4-[7-(methylsulfanylmethyl)-4-propan-2-yloxyquinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine;molecular oxygen.

Molecular Properties

• Compound Name: 4-[8-chloro-7-(2-isocyanoethyl)-4-propan-2-yloxyquinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine;5-chloro-4-[7-methyl-4-[(2-methylpropan-2-yl)oxy]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;4-[7-(methylsulfanylmethyl)-4-propan-2-yloxyquinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine;molecular oxygen
• PubChem CID: 158412177
• Molecular Formula: C₈₆H₁₀₆Cl₂N₁₄O₈S₅
• Molecular Weight: 1695.12 g/mol
• Exact Mass: 1692.63
• IUPAC Name: 4-[8-chloro-7-(2-isocyanoethyl)-4-propan-2-yloxyquinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine;5-chloro-4-[7-methyl-4-[(2-methylpropan-2-yl)oxy]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;4-[7-(methylsulfanylmethyl)-4-propan-2-yloxyquinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine;molecular oxygen
• SMILES: CC(C)Nc1nc(-c2cc(OC(C)(C)C)c3ccc(OCCN4CCOCC4)cc3n2)cs1.CSCc1ccc2c(OC(C)C)cc(-c3csc(NC(C)C)n3)nc2c1.Cc1ccc2c(OC(C)(C)C)cc(-c3nc(NC(C)C)sc3Cl)nc2c1.O=O.[C-]#[N+]CCc1ccc2c(OC(C)C)cc(-c3csc(NC(C)C)n3)nc2c1Cl
• InChI: InChI=1S/C25H34N4O3S.C21H23ClN4OS.C20H24ClN3OS.C20H25N3OS2.O2/c1-17(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;1-12(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;1-11(2)22-19-24-17(18(21)26-19)15-10-16(25-20(4,5)6)13-8-7-12(3)9-14(13)23-15;1-12(2)21-20-23-18(11-26-20)17-9-19(24-13(3)4)15-7-6-14(10-25-5)8-16(15)22-17;1-2/h6-7,14-17H,8-13H2,1-5H3,(H,26,28);6-7,10-13H,8-9H2,1-4H3,(H,24,26);7-11H,1-6H3,(H,22,24);6-9,11-13H,10H2,1-5H3,(H,21,23)
• InChIKey: GZLHLZKUWGINFP-UHFFFAOYSA-N
• XLogP: 23.36
• TPSA: 248.36 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 26
• Rotatable Bonds: 26
• Heavy Atoms: 115
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1695.12
LogP ≤ 5	23.36
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	26

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-(2-isocyanoethyl)-4-propan-2-yloxyquinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine;5-chloro-4-[7-methyl-4-[(2-methylpropan-2-yl)oxy]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;4-[7-(methylsulfanylmethyl)-4-propan-2-yloxyquinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine;molecular oxygen?

The IUPAC name of 4-[8-chloro-7-(2-isocyanoethyl)-4-propan-2-yloxyquinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine;5-chloro-4-[7-methyl-4-[(2-methylpropan-2-yl)oxy]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;4-[7-(methylsulfanylmethyl)-4-propan-2-yloxyquinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine;molecular oxygen (CID 158412177) is 4-[8-chloro-7-(2-isocyanoethyl)-4-propan-2-yloxyquinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine;5-chloro-4-[7-methyl-4-[(2-methylpropan-2-yl)oxy]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;4-[7-(methylsulfanylmethyl)-4-propan-2-yloxyquinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine;molecular oxygen.

What is the SMILES notation for 4-[8-chloro-7-(2-isocyanoethyl)-4-propan-2-yloxyquinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine;5-chloro-4-[7-methyl-4-[(2-methylpropan-2-yl)oxy]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;4-[7-(methylsulfanylmethyl)-4-propan-2-yloxyquinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine;molecular oxygen?

The canonical SMILES for 4-[8-chloro-7-(2-isocyanoethyl)-4-propan-2-yloxyquinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine;5-chloro-4-[7-methyl-4-[(2-methylpropan-2-yl)oxy]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;4-[7-(methylsulfanylmethyl)-4-propan-2-yloxyquinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine;molecular oxygen is CC(C)Nc1nc(-c2cc(OC(C)(C)C)c3ccc(OCCN4CCOCC4)cc3n2)cs1.CSCc1ccc2c(OC(C)C)cc(-c3csc(NC(C)C)n3)nc2c1.Cc1ccc2c(OC(C)(C)C)cc(-c3nc(NC(C)C)sc3Cl)nc2c1.O=O.[C-]#[N+]CCc1ccc2c(OC(C)C)cc(-c3csc(NC(C)C)n3)nc2c1Cl.

What is the InChIKey of 4-[8-chloro-7-(2-isocyanoethyl)-4-propan-2-yloxyquinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine;5-chloro-4-[7-methyl-4-[(2-methylpropan-2-yl)oxy]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;4-[7-(methylsulfanylmethyl)-4-propan-2-yloxyquinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine;molecular oxygen?

The InChIKey is GZLHLZKUWGINFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N4O3S.C21H23ClN4OS.C20H24ClN3OS.C20H25N3OS2.O2/c1-17(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;1-12(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;1-11(2)22-19-24-17(18(21)26-19)15-10-16(25-20(4,5)6)13-8-7-12(3)9-14(13)23-15;1-12(2)21-20-23-18(11-26-20)17-9-19(24-13(3)4)15-7-6-14(10-25-5)8-16(15)22-17;1-2/h6-7,14-17H,8-13H2,1-5H3,(H,26,28);6-7,10-13H,8-9H2,1-4H3,(H,24,26);7-11H,1-6H3,(H,22,24);6-9,11-13H,10H2,1-5H3,(H,21,23);.

What are the key properties of 4-[8-chloro-7-(2-isocyanoethyl)-4-propan-2-yloxyquinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine;5-chloro-4-[7-methyl-4-[(2-methylpropan-2-yl)oxy]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;4-[7-(methylsulfanylmethyl)-4-propan-2-yloxyquinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine;molecular oxygen?

4-[8-chloro-7-(2-isocyanoethyl)-4-propan-2-yloxyquinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine;5-chloro-4-[7-methyl-4-[(2-methylpropan-2-yl)oxy]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;4-[7-(methylsulfanylmethyl)-4-propan-2-yloxyquinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine;molecular oxygen has a molecular weight of 1695.12 g/mol, XLogP of 23.36, 26 rotatable bonds, 4 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[8-chloro-7-(2-isocyanoethyl)-4-propan-2-yloxyquinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine;5-chloro-4-[7-methyl-4-[(2-methylpropan-2-yl)oxy]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;4-[7-(methylsulfanylmethyl)-4-propan-2-yloxyquinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine;molecular oxygen is sourced from PubChem (CID 158412177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 158412177 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.