4-[8-chloro-7-methyl-4-[(2-methylpropan-2-yl)oxy]quinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine;4-[7-(2-methoxyethoxy)-4-[(2-methylpropan-2-yl)oxy]quinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine;7-methyl-4-[(2-methylpropan-2-yl)oxy]-2-(3-propan-2-yl-4H-pyrazol-1-ium-1-yl)quinoline;7-methyl-4-[(2-methylpropan-2-yl)oxy]-2-pyrazol-1-ylquinoline;4-[7-methyl-4-[(2-methylpropan-2-yl)oxy]quinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine

C99H123ClN15O7S3+ — CID 160915116

About 4-[8-chloro-7-methyl-4-[(2-methylpropan-2-yl)oxy]quinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine;4-[7-(2-methoxyethoxy)-4-[(2-methylpropan-2-yl)oxy]quinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine;7-methyl-4-[(2-methylpropan-2-yl)oxy]-2-(3-propan-2-yl-4H-pyrazol-1-ium-1-yl)quinoline;7-methyl-4-[(2-methylpropan-2-yl)oxy]-2-pyrazol-1-ylquinoline;4-[7-methyl-4-[(2-methylpropan-2-yl)oxy]quinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine

4-[8-chloro-7-methyl-4-[(2-methylpropan-2-yl)oxy]quinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine;4-[7-(2-methoxyethoxy)-4-[(2-methylpropan-2-yl)oxy]quinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine;7-methyl-4-[(2-methylpropan-2-yl)oxy]-2-(3-propan-2-yl-4H-pyrazol-1-ium-1-yl)quinoline;7-methyl-4-[(2-methylpropan-2-yl)oxy]-2-pyrazol-1-ylquinoline;4-[7-methyl-4-[(2-methylpropan-2-yl)oxy]quinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine (PubChem CID 160915116) has the molecular formula C99H123ClN15O7S3+ and a molecular weight of 1766.82 g/mol. Its IUPAC name is 4-[8-chloro-7-methyl-4-[(2-methylpropan-2-yl)oxy]quinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine;4-[7-(2-methoxyethoxy)-4-[(2-methylpropan-2-yl)oxy]quinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine;7-methyl-4-[(2-methylpropan-2-yl)oxy]-2-(3-propan-2-yl-4H-pyrazol-1-ium-1-yl)quinoline;7-methyl-4-[(2-methylpropan-2-yl)oxy]-2-pyrazol-1-ylquinoline;4-[7-methyl-4-[(2-methylpropan-2-yl)oxy]quinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine.

Molecular Properties

• Compound Name: 4-[8-chloro-7-methyl-4-[(2-methylpropan-2-yl)oxy]quinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine;4-[7-(2-methoxyethoxy)-4-[(2-methylpropan-2-yl)oxy]quinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine;7-methyl-4-[(2-methylpropan-2-yl)oxy]-2-(3-propan-2-yl-4H-pyrazol-1-ium-1-yl)quinoline;7-methyl-4-[(2-methylpropan-2-yl)oxy]-2-pyrazol-1-ylquinoline;4-[7-methyl-4-[(2-methylpropan-2-yl)oxy]quinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine
• PubChem CID: 160915116
• Molecular Formula: C99H123ClN15O7S3+
• Molecular Weight: 1766.82 g/mol
• Exact Mass: 1764.86
• IUPAC Name: 4-[8-chloro-7-methyl-4-[(2-methylpropan-2-yl)oxy]quinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine;4-[7-(2-methoxyethoxy)-4-[(2-methylpropan-2-yl)oxy]quinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine;7-methyl-4-[(2-methylpropan-2-yl)oxy]-2-(3-propan-2-yl-4H-pyrazol-1-ium-1-yl)quinoline;7-methyl-4-[(2-methylpropan-2-yl)oxy]-2-pyrazol-1-ylquinoline;4-[7-methyl-4-[(2-methylpropan-2-yl)oxy]quinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine
• SMILES: COCCOc1ccc2c(OC(C)(C)C)cc(-c3csc(NC(C)C)n3)nc2c1.Cc1ccc2c(OC(C)(C)C)cc(-c3csc(NC(C)C)n3)nc2c1.Cc1ccc2c(OC(C)(C)C)cc(-c3csc(NC(C)C)n3)nc2c1Cl.Cc1ccc2c(OC(C)(C)C)cc(-n3cccn3)nc2c1.Cc1ccc2c(OC(C)(C)C)cc([N+]3=CCC(C(C)C)=N3)nc2c1
• InChI: InChI=1S/C22H29N3O3S.C20H24ClN3OS.C20H25N3OS.C20H26N3O.C17H19N3O/c1-14(2)23-21-25-19(13-29-21)18-12-20(28-22(3,4)5)16-8-7-15(11-17(16)24-18)27-10-9-26-6;1-11(2)22-19-24-15(10-26-19)14-9-16(25-20(4,5)6)13-8-7-12(3)17(21)18(13)23-14;1-12(2)21-19-23-17(11-25-19)16-10-18(24-20(4,5)6)14-8-7-13(3)9-15(14)22-16;1-13(2)16-9-10-23(22-16)19-12-18(24-20(4,5)6)15-8-7-14(3)11-17(15)21-19;1-12-6-7-13-14(10-12)19-16(20-9-5-8-18-20)11-15(13)21-17(2,3)4/h7-8,11-14H,9-10H2,1-6H3,(H,23,25);7-11H,1-6H3,(H,22,24);7-12H,1-6H3,(H,21,23);7-8,10-13H,9H2,1-6H3;5-11H,1-4H3/q;;;+1
• InChIKey: UKPCMYFKZCGDPS-UHFFFAOYSA-N
• XLogP: 26.12
• TPSA: 237.01 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 24
• Rotatable Bonds: 21
• Heavy Atoms: 125
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1766.82
LogP ≤ 5	26.12
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-[8-chloro-7-methyl-4-[(2-methylpropan-2-yl)oxy]quinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine;4-[7-(2-methoxyethoxy)-4-[(2-methylpropan-2-yl)oxy]quinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine;7-methyl-4-[(2-methylpropan-2-yl)oxy]-2-(3-propan-2-yl-4H-pyrazol-1-ium-1-yl)quinoline;7-methyl-4-[(2-methylpropan-2-yl)oxy]-2-pyrazol-1-ylquinoline;4-[7-methyl-4-[(2-methylpropan-2-yl)oxy]quinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine?

The IUPAC name of 4-[8-chloro-7-methyl-4-[(2-methylpropan-2-yl)oxy]quinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine;4-[7-(2-methoxyethoxy)-4-[(2-methylpropan-2-yl)oxy]quinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine;7-methyl-4-[(2-methylpropan-2-yl)oxy]-2-(3-propan-2-yl-4H-pyrazol-1-ium-1-yl)quinoline;7-methyl-4-[(2-methylpropan-2-yl)oxy]-2-pyrazol-1-ylquinoline;4-[7-methyl-4-[(2-methylpropan-2-yl)oxy]quinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine (CID 160915116) is 4-[8-chloro-7-methyl-4-[(2-methylpropan-2-yl)oxy]quinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine;4-[7-(2-methoxyethoxy)-4-[(2-methylpropan-2-yl)oxy]quinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine;7-methyl-4-[(2-methylpropan-2-yl)oxy]-2-(3-propan-2-yl-4H-pyrazol-1-ium-1-yl)quinoline;7-methyl-4-[(2-methylpropan-2-yl)oxy]-2-pyrazol-1-ylquinoline;4-[7-methyl-4-[(2-methylpropan-2-yl)oxy]quinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine.

What is the SMILES notation for 4-[8-chloro-7-methyl-4-[(2-methylpropan-2-yl)oxy]quinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine;4-[7-(2-methoxyethoxy)-4-[(2-methylpropan-2-yl)oxy]quinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine;7-methyl-4-[(2-methylpropan-2-yl)oxy]-2-(3-propan-2-yl-4H-pyrazol-1-ium-1-yl)quinoline;7-methyl-4-[(2-methylpropan-2-yl)oxy]-2-pyrazol-1-ylquinoline;4-[7-methyl-4-[(2-methylpropan-2-yl)oxy]quinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine?

The canonical SMILES for 4-[8-chloro-7-methyl-4-[(2-methylpropan-2-yl)oxy]quinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine;4-[7-(2-methoxyethoxy)-4-[(2-methylpropan-2-yl)oxy]quinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine;7-methyl-4-[(2-methylpropan-2-yl)oxy]-2-(3-propan-2-yl-4H-pyrazol-1-ium-1-yl)quinoline;7-methyl-4-[(2-methylpropan-2-yl)oxy]-2-pyrazol-1-ylquinoline;4-[7-methyl-4-[(2-methylpropan-2-yl)oxy]quinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine is COCCOc1ccc2c(OC(C)(C)C)cc(-c3csc(NC(C)C)n3)nc2c1.Cc1ccc2c(OC(C)(C)C)cc(-c3csc(NC(C)C)n3)nc2c1.Cc1ccc2c(OC(C)(C)C)cc(-c3csc(NC(C)C)n3)nc2c1Cl.Cc1ccc2c(OC(C)(C)C)cc(-n3cccn3)nc2c1.Cc1ccc2c(OC(C)(C)C)cc([N+]3=CCC(C(C)C)=N3)nc2c1.

What is the InChIKey of 4-[8-chloro-7-methyl-4-[(2-methylpropan-2-yl)oxy]quinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine;4-[7-(2-methoxyethoxy)-4-[(2-methylpropan-2-yl)oxy]quinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine;7-methyl-4-[(2-methylpropan-2-yl)oxy]-2-(3-propan-2-yl-4H-pyrazol-1-ium-1-yl)quinoline;7-methyl-4-[(2-methylpropan-2-yl)oxy]-2-pyrazol-1-ylquinoline;4-[7-methyl-4-[(2-methylpropan-2-yl)oxy]quinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine?

The InChIKey is UKPCMYFKZCGDPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O3S.C20H24ClN3OS.C20H25N3OS.C20H26N3O.C17H19N3O/c1-14(2)23-21-25-19(13-29-21)18-12-20(28-22(3,4)5)16-8-7-15(11-17(16)24-18)27-10-9-26-6;1-11(2)22-19-24-15(10-26-19)14-9-16(25-20(4,5)6)13-8-7-12(3)17(21)18(13)23-14;1-12(2)21-19-23-17(11-25-19)16-10-18(24-20(4,5)6)14-8-7-13(3)9-15(14)22-16;1-13(2)16-9-10-23(22-16)19-12-18(24-20(4,5)6)15-8-7-14(3)11-17(15)21-19;1-12-6-7-13-14(10-12)19-16(20-9-5-8-18-20)11-15(13)21-17(2,3)4/h7-8,11-14H,9-10H2,1-6H3,(H,23,25);7-11H,1-6H3,(H,22,24);7-12H,1-6H3,(H,21,23);7-8,10-13H,9H2,1-6H3;5-11H,1-4H3/q;;;+1;.

What are the key properties of 4-[8-chloro-7-methyl-4-[(2-methylpropan-2-yl)oxy]quinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine;4-[7-(2-methoxyethoxy)-4-[(2-methylpropan-2-yl)oxy]quinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine;7-methyl-4-[(2-methylpropan-2-yl)oxy]-2-(3-propan-2-yl-4H-pyrazol-1-ium-1-yl)quinoline;7-methyl-4-[(2-methylpropan-2-yl)oxy]-2-pyrazol-1-ylquinoline;4-[7-methyl-4-[(2-methylpropan-2-yl)oxy]quinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine?

4-[8-chloro-7-methyl-4-[(2-methylpropan-2-yl)oxy]quinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine;4-[7-(2-methoxyethoxy)-4-[(2-methylpropan-2-yl)oxy]quinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine;7-methyl-4-[(2-methylpropan-2-yl)oxy]-2-(3-propan-2-yl-4H-pyrazol-1-ium-1-yl)quinoline;7-methyl-4-[(2-methylpropan-2-yl)oxy]-2-pyrazol-1-ylquinoline;4-[7-methyl-4-[(2-methylpropan-2-yl)oxy]quinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine has a molecular weight of 1766.82 g/mol, XLogP of 26.12, 21 rotatable bonds, 3 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[8-chloro-7-methyl-4-[(2-methylpropan-2-yl)oxy]quinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine;4-[7-(2-methoxyethoxy)-4-[(2-methylpropan-2-yl)oxy]quinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine;7-methyl-4-[(2-methylpropan-2-yl)oxy]-2-(3-propan-2-yl-4H-pyrazol-1-ium-1-yl)quinoline;7-methyl-4-[(2-methylpropan-2-yl)oxy]-2-pyrazol-1-ylquinoline;4-[7-methyl-4-[(2-methylpropan-2-yl)oxy]quinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine is sourced from PubChem (CID 160915116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).