2-[2-(azetidin-1-yl)ethoxy]-8-chloro-4-[(2-methylpropan-2-yl)oxy]quinoline;4-[8-chloro-4-[(2-methylpropan-2-yl)oxy]-7-(2-morpholin-4-ylethoxy)quinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine;2-[8-chloro-4-[(2-methylpropan-2-yl)oxy]quinolin-2-yl]oxy-N,N-dimethylethanamine;1-[2-[8-chloro-4-[(2-methylpropan-2-yl)oxy]quinolin-2-yl]oxyethyl]azetidin-3-ol;1-[7-(2-methoxyethoxy)-4-[(2-methylpropan-2-yl)oxy]quinolin-2-yl]-N-propan-2-ylpyrazol-3-amine

C100H132Cl4N14O13S — CID 159922504

About 2-[2-(azetidin-1-yl)ethoxy]-8-chloro-4-[(2-methylpropan-2-yl)oxy]quinoline;4-[8-chloro-4-[(2-methylpropan-2-yl)oxy]-7-(2-morpholin-4-ylethoxy)quinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine;2-[8-chloro-4-[(2-methylpropan-2-yl)oxy]quinolin-2-yl]oxy-N,N-dimethylethanamine;1-[2-[8-chloro-4-[(2-methylpropan-2-yl)oxy]quinolin-2-yl]oxyethyl]azetidin-3-ol;1-[7-(2-methoxyethoxy)-4-[(2-methylpropan-2-yl)oxy]quinolin-2-yl]-N-propan-2-ylpyrazol-3-amine

2-[2-(azetidin-1-yl)ethoxy]-8-chloro-4-[(2-methylpropan-2-yl)oxy]quinoline;4-[8-chloro-4-[(2-methylpropan-2-yl)oxy]-7-(2-morpholin-4-ylethoxy)quinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine;2-[8-chloro-4-[(2-methylpropan-2-yl)oxy]quinolin-2-yl]oxy-N,N-dimethylethanamine;1-[2-[8-chloro-4-[(2-methylpropan-2-yl)oxy]quinolin-2-yl]oxyethyl]azetidin-3-ol;1-[7-(2-methoxyethoxy)-4-[(2-methylpropan-2-yl)oxy]quinolin-2-yl]-N-propan-2-ylpyrazol-3-amine (PubChem CID 159922504) has the molecular formula C100H132Cl4N14O13S and a molecular weight of 1912.12 g/mol. Its IUPAC name is 2-[2-(azetidin-1-yl)ethoxy]-8-chloro-4-[(2-methylpropan-2-yl)oxy]quinoline;4-[8-chloro-4-[(2-methylpropan-2-yl)oxy]-7-(2-morpholin-4-ylethoxy)quinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine;2-[8-chloro-4-[(2-methylpropan-2-yl)oxy]quinolin-2-yl]oxy-N,N-dimethylethanamine;1-[2-[8-chloro-4-[(2-methylpropan-2-yl)oxy]quinolin-2-yl]oxyethyl]azetidin-3-ol;1-[7-(2-methoxyethoxy)-4-[(2-methylpropan-2-yl)oxy]quinolin-2-yl]-N-propan-2-ylpyrazol-3-amine.

Molecular Properties

• Compound Name: 2-[2-(azetidin-1-yl)ethoxy]-8-chloro-4-[(2-methylpropan-2-yl)oxy]quinoline;4-[8-chloro-4-[(2-methylpropan-2-yl)oxy]-7-(2-morpholin-4-ylethoxy)quinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine;2-[8-chloro-4-[(2-methylpropan-2-yl)oxy]quinolin-2-yl]oxy-N,N-dimethylethanamine;1-[2-[8-chloro-4-[(2-methylpropan-2-yl)oxy]quinolin-2-yl]oxyethyl]azetidin-3-ol;1-[7-(2-methoxyethoxy)-4-[(2-methylpropan-2-yl)oxy]quinolin-2-yl]-N-propan-2-ylpyrazol-3-amine
• PubChem CID: 159922504
• Molecular Formula: C100H132Cl4N14O13S
• Molecular Weight: 1912.12 g/mol
• Exact Mass: 1908.86
• IUPAC Name: 2-[2-(azetidin-1-yl)ethoxy]-8-chloro-4-[(2-methylpropan-2-yl)oxy]quinoline;4-[8-chloro-4-[(2-methylpropan-2-yl)oxy]-7-(2-morpholin-4-ylethoxy)quinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine;2-[8-chloro-4-[(2-methylpropan-2-yl)oxy]quinolin-2-yl]oxy-N,N-dimethylethanamine;1-[2-[8-chloro-4-[(2-methylpropan-2-yl)oxy]quinolin-2-yl]oxyethyl]azetidin-3-ol;1-[7-(2-methoxyethoxy)-4-[(2-methylpropan-2-yl)oxy]quinolin-2-yl]-N-propan-2-ylpyrazol-3-amine
• SMILES: CC(C)(C)Oc1cc(OCCN2CC(O)C2)nc2c(Cl)cccc12.CC(C)(C)Oc1cc(OCCN2CCC2)nc2c(Cl)cccc12.CC(C)Nc1nc(-c2cc(OC(C)(C)C)c3ccc(OCCN4CCOCC4)c(Cl)c3n2)cs1.CN(C)CCOc1cc(OC(C)(C)C)c2cccc(Cl)c2n1.COCCOc1ccc2c(OC(C)(C)C)cc(-n3ccc(NC(C)C)n3)nc2c1
• InChI: InChI=1S/C25H33ClN4O3S.C22H30N4O3.C18H23ClN2O3.C18H23ClN2O2.C17H23ClN2O2/c1-16(2)27-24-29-19(15-34-24)18-14-21(33-25(3,4)5)17-6-7-20(22(26)23(17)28-18)32-13-10-30-8-11-31-12-9-30;1-15(2)23-20-9-10-26(25-20)21-14-19(29-22(3,4)5)17-8-7-16(13-18(17)24-21)28-12-11-27-6;1-18(2,3)24-15-9-16(23-8-7-21-10-12(22)11-21)20-17-13(15)5-4-6-14(17)19;1-18(2,3)23-15-12-16(22-11-10-21-8-5-9-21)20-17-13(15)6-4-7-14(17)19;1-17(2,3)22-14-11-15(21-10-9-20(4)5)19-16-12(14)7-6-8-13(16)18/h6-7,14-16H,8-13H2,1-5H3,(H,27,29);7-10,13-15H,11-12H2,1-6H3,(H,23,25);4-6,9,12,22H,7-8,10-11H2,1-3H3;4,6-7,12H,5,8-11H2,1-3H3;6-8,11H,9-10H2,1-5H3
• InChIKey: NYOVUNYVGOZRAG-UHFFFAOYSA-N
• XLogP: 21.44
• TPSA: 263.17 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 28
• Rotatable Bonds: 31
• Heavy Atoms: 132
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1912.12
LogP ≤ 5	21.44
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[2-(azetidin-1-yl)ethoxy]-8-chloro-4-[(2-methylpropan-2-yl)oxy]quinoline;4-[8-chloro-4-[(2-methylpropan-2-yl)oxy]-7-(2-morpholin-4-ylethoxy)quinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine;2-[8-chloro-4-[(2-methylpropan-2-yl)oxy]quinolin-2-yl]oxy-N,N-dimethylethanamine;1-[2-[8-chloro-4-[(2-methylpropan-2-yl)oxy]quinolin-2-yl]oxyethyl]azetidin-3-ol;1-[7-(2-methoxyethoxy)-4-[(2-methylpropan-2-yl)oxy]quinolin-2-yl]-N-propan-2-ylpyrazol-3-amine?

The IUPAC name of 2-[2-(azetidin-1-yl)ethoxy]-8-chloro-4-[(2-methylpropan-2-yl)oxy]quinoline;4-[8-chloro-4-[(2-methylpropan-2-yl)oxy]-7-(2-morpholin-4-ylethoxy)quinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine;2-[8-chloro-4-[(2-methylpropan-2-yl)oxy]quinolin-2-yl]oxy-N,N-dimethylethanamine;1-[2-[8-chloro-4-[(2-methylpropan-2-yl)oxy]quinolin-2-yl]oxyethyl]azetidin-3-ol;1-[7-(2-methoxyethoxy)-4-[(2-methylpropan-2-yl)oxy]quinolin-2-yl]-N-propan-2-ylpyrazol-3-amine (CID 159922504) is 2-[2-(azetidin-1-yl)ethoxy]-8-chloro-4-[(2-methylpropan-2-yl)oxy]quinoline;4-[8-chloro-4-[(2-methylpropan-2-yl)oxy]-7-(2-morpholin-4-ylethoxy)quinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine;2-[8-chloro-4-[(2-methylpropan-2-yl)oxy]quinolin-2-yl]oxy-N,N-dimethylethanamine;1-[2-[8-chloro-4-[(2-methylpropan-2-yl)oxy]quinolin-2-yl]oxyethyl]azetidin-3-ol;1-[7-(2-methoxyethoxy)-4-[(2-methylpropan-2-yl)oxy]quinolin-2-yl]-N-propan-2-ylpyrazol-3-amine.

What is the SMILES notation for 2-[2-(azetidin-1-yl)ethoxy]-8-chloro-4-[(2-methylpropan-2-yl)oxy]quinoline;4-[8-chloro-4-[(2-methylpropan-2-yl)oxy]-7-(2-morpholin-4-ylethoxy)quinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine;2-[8-chloro-4-[(2-methylpropan-2-yl)oxy]quinolin-2-yl]oxy-N,N-dimethylethanamine;1-[2-[8-chloro-4-[(2-methylpropan-2-yl)oxy]quinolin-2-yl]oxyethyl]azetidin-3-ol;1-[7-(2-methoxyethoxy)-4-[(2-methylpropan-2-yl)oxy]quinolin-2-yl]-N-propan-2-ylpyrazol-3-amine?

The canonical SMILES for 2-[2-(azetidin-1-yl)ethoxy]-8-chloro-4-[(2-methylpropan-2-yl)oxy]quinoline;4-[8-chloro-4-[(2-methylpropan-2-yl)oxy]-7-(2-morpholin-4-ylethoxy)quinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine;2-[8-chloro-4-[(2-methylpropan-2-yl)oxy]quinolin-2-yl]oxy-N,N-dimethylethanamine;1-[2-[8-chloro-4-[(2-methylpropan-2-yl)oxy]quinolin-2-yl]oxyethyl]azetidin-3-ol;1-[7-(2-methoxyethoxy)-4-[(2-methylpropan-2-yl)oxy]quinolin-2-yl]-N-propan-2-ylpyrazol-3-amine is CC(C)(C)Oc1cc(OCCN2CC(O)C2)nc2c(Cl)cccc12.CC(C)(C)Oc1cc(OCCN2CCC2)nc2c(Cl)cccc12.CC(C)Nc1nc(-c2cc(OC(C)(C)C)c3ccc(OCCN4CCOCC4)c(Cl)c3n2)cs1.CN(C)CCOc1cc(OC(C)(C)C)c2cccc(Cl)c2n1.COCCOc1ccc2c(OC(C)(C)C)cc(-n3ccc(NC(C)C)n3)nc2c1.

What is the InChIKey of 2-[2-(azetidin-1-yl)ethoxy]-8-chloro-4-[(2-methylpropan-2-yl)oxy]quinoline;4-[8-chloro-4-[(2-methylpropan-2-yl)oxy]-7-(2-morpholin-4-ylethoxy)quinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine;2-[8-chloro-4-[(2-methylpropan-2-yl)oxy]quinolin-2-yl]oxy-N,N-dimethylethanamine;1-[2-[8-chloro-4-[(2-methylpropan-2-yl)oxy]quinolin-2-yl]oxyethyl]azetidin-3-ol;1-[7-(2-methoxyethoxy)-4-[(2-methylpropan-2-yl)oxy]quinolin-2-yl]-N-propan-2-ylpyrazol-3-amine?

The InChIKey is NYOVUNYVGOZRAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33ClN4O3S.C22H30N4O3.C18H23ClN2O3.C18H23ClN2O2.C17H23ClN2O2/c1-16(2)27-24-29-19(15-34-24)18-14-21(33-25(3,4)5)17-6-7-20(22(26)23(17)28-18)32-13-10-30-8-11-31-12-9-30;1-15(2)23-20-9-10-26(25-20)21-14-19(29-22(3,4)5)17-8-7-16(13-18(17)24-21)28-12-11-27-6;1-18(2,3)24-15-9-16(23-8-7-21-10-12(22)11-21)20-17-13(15)5-4-6-14(17)19;1-18(2,3)23-15-12-16(22-11-10-21-8-5-9-21)20-17-13(15)6-4-7-14(17)19;1-17(2,3)22-14-11-15(21-10-9-20(4)5)19-16-12(14)7-6-8-13(16)18/h6-7,14-16H,8-13H2,1-5H3,(H,27,29);7-10,13-15H,11-12H2,1-6H3,(H,23,25);4-6,9,12,22H,7-8,10-11H2,1-3H3;4,6-7,12H,5,8-11H2,1-3H3;6-8,11H,9-10H2,1-5H3.

What are the key properties of 2-[2-(azetidin-1-yl)ethoxy]-8-chloro-4-[(2-methylpropan-2-yl)oxy]quinoline;4-[8-chloro-4-[(2-methylpropan-2-yl)oxy]-7-(2-morpholin-4-ylethoxy)quinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine;2-[8-chloro-4-[(2-methylpropan-2-yl)oxy]quinolin-2-yl]oxy-N,N-dimethylethanamine;1-[2-[8-chloro-4-[(2-methylpropan-2-yl)oxy]quinolin-2-yl]oxyethyl]azetidin-3-ol;1-[7-(2-methoxyethoxy)-4-[(2-methylpropan-2-yl)oxy]quinolin-2-yl]-N-propan-2-ylpyrazol-3-amine?

2-[2-(azetidin-1-yl)ethoxy]-8-chloro-4-[(2-methylpropan-2-yl)oxy]quinoline;4-[8-chloro-4-[(2-methylpropan-2-yl)oxy]-7-(2-morpholin-4-ylethoxy)quinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine;2-[8-chloro-4-[(2-methylpropan-2-yl)oxy]quinolin-2-yl]oxy-N,N-dimethylethanamine;1-[2-[8-chloro-4-[(2-methylpropan-2-yl)oxy]quinolin-2-yl]oxyethyl]azetidin-3-ol;1-[7-(2-methoxyethoxy)-4-[(2-methylpropan-2-yl)oxy]quinolin-2-yl]-N-propan-2-ylpyrazol-3-amine has a molecular weight of 1912.12 g/mol, XLogP of 21.44, 31 rotatable bonds, 3 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-(azetidin-1-yl)ethoxy]-8-chloro-4-[(2-methylpropan-2-yl)oxy]quinoline;4-[8-chloro-4-[(2-methylpropan-2-yl)oxy]-7-(2-morpholin-4-ylethoxy)quinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine;2-[8-chloro-4-[(2-methylpropan-2-yl)oxy]quinolin-2-yl]oxy-N,N-dimethylethanamine;1-[2-[8-chloro-4-[(2-methylpropan-2-yl)oxy]quinolin-2-yl]oxyethyl]azetidin-3-ol;1-[7-(2-methoxyethoxy)-4-[(2-methylpropan-2-yl)oxy]quinolin-2-yl]-N-propan-2-ylpyrazol-3-amine is sourced from PubChem (CID 159922504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).