4-[7-(2-isocyanoethyl)-4-propan-2-yloxyquinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine;7-(3-isocyanopropyl)-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]-1H-quinolin-4-one;bis(2-methylpropane);2-[2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]-4-propan-2-yloxyquinolin-7-yl]oxyethanol;2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]-7-propyl-1H-quinolin-4-one

C86H110N14O6S4 — CID 158241641

About 4-[7-(2-isocyanoethyl)-4-propan-2-yloxyquinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine;7-(3-isocyanopropyl)-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]-1H-quinolin-4-one;bis(2-methylpropane);2-[2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]-4-propan-2-yloxyquinolin-7-yl]oxyethanol;2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]-7-propyl-1H-quinolin-4-one

4-[7-(2-isocyanoethyl)-4-propan-2-yloxyquinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine;7-(3-isocyanopropyl)-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]-1H-quinolin-4-one;bis(2-methylpropane);2-[2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]-4-propan-2-yloxyquinolin-7-yl]oxyethanol;2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]-7-propyl-1H-quinolin-4-one (PubChem CID 158241641) has the molecular formula C86H110N14O6S4 and a molecular weight of 1564.19 g/mol. Its IUPAC name is 4-[7-(2-isocyanoethyl)-4-propan-2-yloxyquinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine;7-(3-isocyanopropyl)-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]-1H-quinolin-4-one;bis(2-methylpropane);2-[2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]-4-propan-2-yloxyquinolin-7-yl]oxyethanol;2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]-7-propyl-1H-quinolin-4-one.

Molecular Properties

• Compound Name: 4-[7-(2-isocyanoethyl)-4-propan-2-yloxyquinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine;7-(3-isocyanopropyl)-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]-1H-quinolin-4-one;bis(2-methylpropane);2-[2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]-4-propan-2-yloxyquinolin-7-yl]oxyethanol;2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]-7-propyl-1H-quinolin-4-one
• PubChem CID: 158241641
• Molecular Formula: C86H110N14O6S4
• Molecular Weight: 1564.19 g/mol
• Exact Mass: 1562.76
• IUPAC Name: 4-[7-(2-isocyanoethyl)-4-propan-2-yloxyquinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine;7-(3-isocyanopropyl)-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]-1H-quinolin-4-one;bis(2-methylpropane);2-[2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]-4-propan-2-yloxyquinolin-7-yl]oxyethanol;2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]-7-propyl-1H-quinolin-4-one
• SMILES: CC(C)C.CC(C)C.CC(C)Nc1nc(-c2cc(OC(C)C)c3ccc(OCCO)cc3n2)cs1.CCCc1ccc2c(=O)cc(-c3csc(NC(C)C)n3)[nH]c2c1.[C-]#[N+]CCCc1ccc2c(=O)cc(-c3csc(NC(C)C)n3)[nH]c2c1.[C-]#[N+]CCc1ccc2c(OC(C)C)cc(-c3csc(NC(C)C)n3)nc2c1
• InChI: InChI=1S/C21H24N4OS.C20H25N3O3S.C19H20N4OS.C18H21N3OS.2C4H10/c1-13(2)23-21-25-19(12-27-21)18-11-20(26-14(3)4)16-7-6-15(8-9-22-5)10-17(16)24-18;1-12(2)21-20-23-18(11-27-20)17-10-19(26-13(3)4)15-6-5-14(25-8-7-24)9-16(15)22-17;1-12(2)21-19-23-17(11-25-19)16-10-18(24)14-7-6-13(5-4-8-20-3)9-15(14)22-16;1-4-5-12-6-7-13-14(8-12)20-15(9-17(13)22)16-10-23-18(21-16)19-11(2)3;2*1-4(2)3/h6-7,10-14H,8-9H2,1-4H3,(H,23,25);5-6,9-13,24H,7-8H2,1-4H3,(H,21,23);6-7,9-12H,4-5,8H2,1-2H3,(H,21,23)(H,22,24);6-11H,4-5H2,1-3H3,(H,19,21)(H,20,22);2*4H,1-3H3
• InChIKey: GFPMRJNEJXTLLZ-UHFFFAOYSA-N
• XLogP: 21.84
• TPSA: 247.82 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 20
• Rotatable Bonds: 26
• Heavy Atoms: 110
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1564.19
LogP ≤ 5	21.84
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-[7-(2-isocyanoethyl)-4-propan-2-yloxyquinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine;7-(3-isocyanopropyl)-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]-1H-quinolin-4-one;bis(2-methylpropane);2-[2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]-4-propan-2-yloxyquinolin-7-yl]oxyethanol;2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]-7-propyl-1H-quinolin-4-one?

The IUPAC name of 4-[7-(2-isocyanoethyl)-4-propan-2-yloxyquinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine;7-(3-isocyanopropyl)-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]-1H-quinolin-4-one;bis(2-methylpropane);2-[2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]-4-propan-2-yloxyquinolin-7-yl]oxyethanol;2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]-7-propyl-1H-quinolin-4-one (CID 158241641) is 4-[7-(2-isocyanoethyl)-4-propan-2-yloxyquinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine;7-(3-isocyanopropyl)-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]-1H-quinolin-4-one;bis(2-methylpropane);2-[2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]-4-propan-2-yloxyquinolin-7-yl]oxyethanol;2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]-7-propyl-1H-quinolin-4-one.

What is the SMILES notation for 4-[7-(2-isocyanoethyl)-4-propan-2-yloxyquinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine;7-(3-isocyanopropyl)-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]-1H-quinolin-4-one;bis(2-methylpropane);2-[2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]-4-propan-2-yloxyquinolin-7-yl]oxyethanol;2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]-7-propyl-1H-quinolin-4-one?

The canonical SMILES for 4-[7-(2-isocyanoethyl)-4-propan-2-yloxyquinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine;7-(3-isocyanopropyl)-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]-1H-quinolin-4-one;bis(2-methylpropane);2-[2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]-4-propan-2-yloxyquinolin-7-yl]oxyethanol;2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]-7-propyl-1H-quinolin-4-one is CC(C)C.CC(C)C.CC(C)Nc1nc(-c2cc(OC(C)C)c3ccc(OCCO)cc3n2)cs1.CCCc1ccc2c(=O)cc(-c3csc(NC(C)C)n3)[nH]c2c1.[C-]#[N+]CCCc1ccc2c(=O)cc(-c3csc(NC(C)C)n3)[nH]c2c1.[C-]#[N+]CCc1ccc2c(OC(C)C)cc(-c3csc(NC(C)C)n3)nc2c1.

What is the InChIKey of 4-[7-(2-isocyanoethyl)-4-propan-2-yloxyquinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine;7-(3-isocyanopropyl)-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]-1H-quinolin-4-one;bis(2-methylpropane);2-[2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]-4-propan-2-yloxyquinolin-7-yl]oxyethanol;2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]-7-propyl-1H-quinolin-4-one?

The InChIKey is GFPMRJNEJXTLLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4OS.C20H25N3O3S.C19H20N4OS.C18H21N3OS.2C4H10/c1-13(2)23-21-25-19(12-27-21)18-11-20(26-14(3)4)16-7-6-15(8-9-22-5)10-17(16)24-18;1-12(2)21-20-23-18(11-27-20)17-10-19(26-13(3)4)15-6-5-14(25-8-7-24)9-16(15)22-17;1-12(2)21-19-23-17(11-25-19)16-10-18(24)14-7-6-13(5-4-8-20-3)9-15(14)22-16;1-4-5-12-6-7-13-14(8-12)20-15(9-17(13)22)16-10-23-18(21-16)19-11(2)3;2*1-4(2)3/h6-7,10-14H,8-9H2,1-4H3,(H,23,25);5-6,9-13,24H,7-8H2,1-4H3,(H,21,23);6-7,9-12H,4-5,8H2,1-2H3,(H,21,23)(H,22,24);6-11H,4-5H2,1-3H3,(H,19,21)(H,20,22);2*4H,1-3H3.

What are the key properties of 4-[7-(2-isocyanoethyl)-4-propan-2-yloxyquinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine;7-(3-isocyanopropyl)-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]-1H-quinolin-4-one;bis(2-methylpropane);2-[2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]-4-propan-2-yloxyquinolin-7-yl]oxyethanol;2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]-7-propyl-1H-quinolin-4-one?

4-[7-(2-isocyanoethyl)-4-propan-2-yloxyquinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine;7-(3-isocyanopropyl)-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]-1H-quinolin-4-one;bis(2-methylpropane);2-[2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]-4-propan-2-yloxyquinolin-7-yl]oxyethanol;2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]-7-propyl-1H-quinolin-4-one has a molecular weight of 1564.19 g/mol, XLogP of 21.84, 26 rotatable bonds, 7 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[7-(2-isocyanoethyl)-4-propan-2-yloxyquinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine;7-(3-isocyanopropyl)-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]-1H-quinolin-4-one;bis(2-methylpropane);2-[2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]-4-propan-2-yloxyquinolin-7-yl]oxyethanol;2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]-7-propyl-1H-quinolin-4-one is sourced from PubChem (CID 158241641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).