4-[8-chloro-7-[[(2S)-4,4-difluoro-1-methylpyrrolidin-2-yl]methoxy]-4-propan-2-yloxyquinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine;8-chloro-2-ethoxy-7-(2-methoxyethoxy)-4-propan-2-yloxyquinoline;4-[8-chloro-7-[[(3S)-4-methylmorpholin-3-yl]methoxy]-4-propan-2-yloxyquinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine;4-[8-chloro-7-[[(3R)-4-methylmorpholin-3-yl]methoxy]-4-propan-2-yloxyquinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine;4-[8-chloro-7-[[(3S)-morpholin-3-yl]methoxy]-4-propan-2-yloxyquinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine;4-[8-chloro-7-[[(3R)-morpholin-3-yl]methoxy]-4-propan-2-yloxyquinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine

C135H171Cl6F2N21O18S5 — CID 159265228

About 4-[8-chloro-7-[[(2S)-4,4-difluoro-1-methylpyrrolidin-2-yl]methoxy]-4-propan-2-yloxyquinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine;8-chloro-2-ethoxy-7-(2-methoxyethoxy)-4-propan-2-yloxyquinoline;4-[8-chloro-7-[[(3S)-4-methylmorpholin-3-yl]methoxy]-4-propan-2-yloxyquinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine;4-[8-chloro-7-[[(3R)-4-methylmorpholin-3-yl]methoxy]-4-propan-2-yloxyquinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine;4-[8-chloro-7-[[(3S)-morpholin-3-yl]methoxy]-4-propan-2-yloxyquinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine;4-[8-chloro-7-[[(3R)-morpholin-3-yl]methoxy]-4-propan-2-yloxyquinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine

4-[8-chloro-7-[[(2S)-4,4-difluoro-1-methylpyrrolidin-2-yl]methoxy]-4-propan-2-yloxyquinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine;8-chloro-2-ethoxy-7-(2-methoxyethoxy)-4-propan-2-yloxyquinoline;4-[8-chloro-7-[[(3S)-4-methylmorpholin-3-yl]methoxy]-4-propan-2-yloxyquinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine;4-[8-chloro-7-[[(3R)-4-methylmorpholin-3-yl]methoxy]-4-propan-2-yloxyquinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine;4-[8-chloro-7-[[(3S)-morpholin-3-yl]methoxy]-4-propan-2-yloxyquinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine;4-[8-chloro-7-[[(3R)-morpholin-3-yl]methoxy]-4-propan-2-yloxyquinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine (PubChem CID 159265228) has the molecular formula C135H171Cl6F2N21O18S5 and a molecular weight of 2787.03 g/mol. Its IUPAC name is 4-[8-chloro-7-[[(2S)-4,4-difluoro-1-methylpyrrolidin-2-yl]methoxy]-4-propan-2-yloxyquinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine;8-chloro-2-ethoxy-7-(2-methoxyethoxy)-4-propan-2-yloxyquinoline;4-[8-chloro-7-[[(3S)-4-methylmorpholin-3-yl]methoxy]-4-propan-2-yloxyquinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine;4-[8-chloro-7-[[(3R)-4-methylmorpholin-3-yl]methoxy]-4-propan-2-yloxyquinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine;4-[8-chloro-7-[[(3S)-morpholin-3-yl]methoxy]-4-propan-2-yloxyquinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine;4-[8-chloro-7-[[(3R)-morpholin-3-yl]methoxy]-4-propan-2-yloxyquinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine.

Molecular Properties

• Compound Name: 4-[8-chloro-7-[[(2S)-4,4-difluoro-1-methylpyrrolidin-2-yl]methoxy]-4-propan-2-yloxyquinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine;8-chloro-2-ethoxy-7-(2-methoxyethoxy)-4-propan-2-yloxyquinoline;4-[8-chloro-7-[[(3S)-4-methylmorpholin-3-yl]methoxy]-4-propan-2-yloxyquinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine;4-[8-chloro-7-[[(3R)-4-methylmorpholin-3-yl]methoxy]-4-propan-2-yloxyquinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine;4-[8-chloro-7-[[(3S)-morpholin-3-yl]methoxy]-4-propan-2-yloxyquinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine;4-[8-chloro-7-[[(3R)-morpholin-3-yl]methoxy]-4-propan-2-yloxyquinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine
• PubChem CID: 159265228
• Molecular Formula: C135H171Cl6F2N21O18S5
• Molecular Weight: 2787.03 g/mol
• Exact Mass: 2781.98
• IUPAC Name: 4-[8-chloro-7-[[(2S)-4,4-difluoro-1-methylpyrrolidin-2-yl]methoxy]-4-propan-2-yloxyquinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine;8-chloro-2-ethoxy-7-(2-methoxyethoxy)-4-propan-2-yloxyquinoline;4-[8-chloro-7-[[(3S)-4-methylmorpholin-3-yl]methoxy]-4-propan-2-yloxyquinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine;4-[8-chloro-7-[[(3R)-4-methylmorpholin-3-yl]methoxy]-4-propan-2-yloxyquinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine;4-[8-chloro-7-[[(3S)-morpholin-3-yl]methoxy]-4-propan-2-yloxyquinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine;4-[8-chloro-7-[[(3R)-morpholin-3-yl]methoxy]-4-propan-2-yloxyquinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine
• SMILES: CC(C)Nc1nc(-c2cc(OC(C)C)c3ccc(OC[C@@H]4CC(F)(F)CN4C)c(Cl)c3n2)cs1.CC(C)Nc1nc(-c2cc(OC(C)C)c3ccc(OC[C@@H]4COCCN4)c(Cl)c3n2)cs1.CC(C)Nc1nc(-c2cc(OC(C)C)c3ccc(OC[C@@H]4COCCN4C)c(Cl)c3n2)cs1.CC(C)Nc1nc(-c2cc(OC(C)C)c3ccc(OC[C@H]4COCCN4)c(Cl)c3n2)cs1.CC(C)Nc1nc(-c2cc(OC(C)C)c3ccc(OC[C@H]4COCCN4C)c(Cl)c3n2)cs1.CCOc1cc(OC(C)C)c2ccc(OCCOC)c(Cl)c2n1
• InChI: InChI=1S/C24H29ClF2N4O2S.2C24H31ClN4O3S.2C23H29ClN4O3S.C17H22ClNO4/c1-13(2)28-23-30-18(11-34-23)17-8-20(33-14(3)4)16-6-7-19(21(25)22(16)29-17)32-10-15-9-24(26,27)12-31(15)5;2*1-14(2)26-24-28-19(13-33-24)18-10-21(32-15(3)4)17-6-7-20(22(25)23(17)27-18)31-12-16-11-30-9-8-29(16)5;2*1-13(2)26-23-28-18(12-32-23)17-9-20(31-14(3)4)16-5-6-19(21(24)22(16)27-17)30-11-15-10-29-8-7-25-15;1-5-21-15-10-14(23-11(2)3)12-6-7-13(22-9-8-20-4)16(18)17(12)19-15/h6-8,11,13-15H,9-10,12H2,1-5H3,(H,28,30);2*6-7,10,13-16H,8-9,11-12H2,1-5H3,(H,26,28);2*5-6,9,12-15,25H,7-8,10-11H2,1-4H3,(H,26,28);6-7,10-11H,5,8-9H2,1-4H3/t15-;2*16-;2*15-;/m01010./s1
• InChIKey: KXAABXFCXQHLLC-MLSOBTSTSA-N
• XLogP: 31.07
• TPSA: 401.86 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 44
• Rotatable Bonds: 48
• Heavy Atoms: 187
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2787.03
LogP ≤ 5	31.07
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	44

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-[8-chloro-7-[[(2S)-4,4-difluoro-1-methylpyrrolidin-2-yl]methoxy]-4-propan-2-yloxyquinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine;8-chloro-2-ethoxy-7-(2-methoxyethoxy)-4-propan-2-yloxyquinoline;4-[8-chloro-7-[[(3S)-4-methylmorpholin-3-yl]methoxy]-4-propan-2-yloxyquinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine;4-[8-chloro-7-[[(3R)-4-methylmorpholin-3-yl]methoxy]-4-propan-2-yloxyquinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine;4-[8-chloro-7-[[(3S)-morpholin-3-yl]methoxy]-4-propan-2-yloxyquinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine;4-[8-chloro-7-[[(3R)-morpholin-3-yl]methoxy]-4-propan-2-yloxyquinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine?

The IUPAC name of 4-[8-chloro-7-[[(2S)-4,4-difluoro-1-methylpyrrolidin-2-yl]methoxy]-4-propan-2-yloxyquinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine;8-chloro-2-ethoxy-7-(2-methoxyethoxy)-4-propan-2-yloxyquinoline;4-[8-chloro-7-[[(3S)-4-methylmorpholin-3-yl]methoxy]-4-propan-2-yloxyquinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine;4-[8-chloro-7-[[(3R)-4-methylmorpholin-3-yl]methoxy]-4-propan-2-yloxyquinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine;4-[8-chloro-7-[[(3S)-morpholin-3-yl]methoxy]-4-propan-2-yloxyquinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine;4-[8-chloro-7-[[(3R)-morpholin-3-yl]methoxy]-4-propan-2-yloxyquinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine (CID 159265228) is 4-[8-chloro-7-[[(2S)-4,4-difluoro-1-methylpyrrolidin-2-yl]methoxy]-4-propan-2-yloxyquinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine;8-chloro-2-ethoxy-7-(2-methoxyethoxy)-4-propan-2-yloxyquinoline;4-[8-chloro-7-[[(3S)-4-methylmorpholin-3-yl]methoxy]-4-propan-2-yloxyquinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine;4-[8-chloro-7-[[(3R)-4-methylmorpholin-3-yl]methoxy]-4-propan-2-yloxyquinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine;4-[8-chloro-7-[[(3S)-morpholin-3-yl]methoxy]-4-propan-2-yloxyquinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine;4-[8-chloro-7-[[(3R)-morpholin-3-yl]methoxy]-4-propan-2-yloxyquinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine.

What is the SMILES notation for 4-[8-chloro-7-[[(2S)-4,4-difluoro-1-methylpyrrolidin-2-yl]methoxy]-4-propan-2-yloxyquinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine;8-chloro-2-ethoxy-7-(2-methoxyethoxy)-4-propan-2-yloxyquinoline;4-[8-chloro-7-[[(3S)-4-methylmorpholin-3-yl]methoxy]-4-propan-2-yloxyquinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine;4-[8-chloro-7-[[(3R)-4-methylmorpholin-3-yl]methoxy]-4-propan-2-yloxyquinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine;4-[8-chloro-7-[[(3S)-morpholin-3-yl]methoxy]-4-propan-2-yloxyquinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine;4-[8-chloro-7-[[(3R)-morpholin-3-yl]methoxy]-4-propan-2-yloxyquinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine?

The canonical SMILES for 4-[8-chloro-7-[[(2S)-4,4-difluoro-1-methylpyrrolidin-2-yl]methoxy]-4-propan-2-yloxyquinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine;8-chloro-2-ethoxy-7-(2-methoxyethoxy)-4-propan-2-yloxyquinoline;4-[8-chloro-7-[[(3S)-4-methylmorpholin-3-yl]methoxy]-4-propan-2-yloxyquinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine;4-[8-chloro-7-[[(3R)-4-methylmorpholin-3-yl]methoxy]-4-propan-2-yloxyquinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine;4-[8-chloro-7-[[(3S)-morpholin-3-yl]methoxy]-4-propan-2-yloxyquinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine;4-[8-chloro-7-[[(3R)-morpholin-3-yl]methoxy]-4-propan-2-yloxyquinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine is CC(C)Nc1nc(-c2cc(OC(C)C)c3ccc(OC[C@@H]4CC(F)(F)CN4C)c(Cl)c3n2)cs1.CC(C)Nc1nc(-c2cc(OC(C)C)c3ccc(OC[C@@H]4COCCN4)c(Cl)c3n2)cs1.CC(C)Nc1nc(-c2cc(OC(C)C)c3ccc(OC[C@@H]4COCCN4C)c(Cl)c3n2)cs1.CC(C)Nc1nc(-c2cc(OC(C)C)c3ccc(OC[C@H]4COCCN4)c(Cl)c3n2)cs1.CC(C)Nc1nc(-c2cc(OC(C)C)c3ccc(OC[C@H]4COCCN4C)c(Cl)c3n2)cs1.CCOc1cc(OC(C)C)c2ccc(OCCOC)c(Cl)c2n1.

What is the InChIKey of 4-[8-chloro-7-[[(2S)-4,4-difluoro-1-methylpyrrolidin-2-yl]methoxy]-4-propan-2-yloxyquinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine;8-chloro-2-ethoxy-7-(2-methoxyethoxy)-4-propan-2-yloxyquinoline;4-[8-chloro-7-[[(3S)-4-methylmorpholin-3-yl]methoxy]-4-propan-2-yloxyquinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine;4-[8-chloro-7-[[(3R)-4-methylmorpholin-3-yl]methoxy]-4-propan-2-yloxyquinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine;4-[8-chloro-7-[[(3S)-morpholin-3-yl]methoxy]-4-propan-2-yloxyquinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine;4-[8-chloro-7-[[(3R)-morpholin-3-yl]methoxy]-4-propan-2-yloxyquinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine?

The InChIKey is KXAABXFCXQHLLC-MLSOBTSTSA-N. The full InChI is InChI=1S/C24H29ClF2N4O2S.2C24H31ClN4O3S.2C23H29ClN4O3S.C17H22ClNO4/c1-13(2)28-23-30-18(11-34-23)17-8-20(33-14(3)4)16-6-7-19(21(25)22(16)29-17)32-10-15-9-24(26,27)12-31(15)5;2*1-14(2)26-24-28-19(13-33-24)18-10-21(32-15(3)4)17-6-7-20(22(25)23(17)27-18)31-12-16-11-30-9-8-29(16)5;2*1-13(2)26-23-28-18(12-32-23)17-9-20(31-14(3)4)16-5-6-19(21(24)22(16)27-17)30-11-15-10-29-8-7-25-15;1-5-21-15-10-14(23-11(2)3)12-6-7-13(22-9-8-20-4)16(18)17(12)19-15/h6-8,11,13-15H,9-10,12H2,1-5H3,(H,28,30);2*6-7,10,13-16H,8-9,11-12H2,1-5H3,(H,26,28);2*5-6,9,12-15,25H,7-8,10-11H2,1-4H3,(H,26,28);6-7,10-11H,5,8-9H2,1-4H3/t15-;2*16-;2*15-;/m01010./s1.

What are the key properties of 4-[8-chloro-7-[[(2S)-4,4-difluoro-1-methylpyrrolidin-2-yl]methoxy]-4-propan-2-yloxyquinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine;8-chloro-2-ethoxy-7-(2-methoxyethoxy)-4-propan-2-yloxyquinoline;4-[8-chloro-7-[[(3S)-4-methylmorpholin-3-yl]methoxy]-4-propan-2-yloxyquinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine;4-[8-chloro-7-[[(3R)-4-methylmorpholin-3-yl]methoxy]-4-propan-2-yloxyquinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine;4-[8-chloro-7-[[(3S)-morpholin-3-yl]methoxy]-4-propan-2-yloxyquinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine;4-[8-chloro-7-[[(3R)-morpholin-3-yl]methoxy]-4-propan-2-yloxyquinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine?

4-[8-chloro-7-[[(2S)-4,4-difluoro-1-methylpyrrolidin-2-yl]methoxy]-4-propan-2-yloxyquinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine;8-chloro-2-ethoxy-7-(2-methoxyethoxy)-4-propan-2-yloxyquinoline;4-[8-chloro-7-[[(3S)-4-methylmorpholin-3-yl]methoxy]-4-propan-2-yloxyquinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine;4-[8-chloro-7-[[(3R)-4-methylmorpholin-3-yl]methoxy]-4-propan-2-yloxyquinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine;4-[8-chloro-7-[[(3S)-morpholin-3-yl]methoxy]-4-propan-2-yloxyquinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine;4-[8-chloro-7-[[(3R)-morpholin-3-yl]methoxy]-4-propan-2-yloxyquinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine has a molecular weight of 2787.03 g/mol, XLogP of 31.07, 48 rotatable bonds, 7 hydrogen bond donors, and 44 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[8-chloro-7-[[(2S)-4,4-difluoro-1-methylpyrrolidin-2-yl]methoxy]-4-propan-2-yloxyquinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine;8-chloro-2-ethoxy-7-(2-methoxyethoxy)-4-propan-2-yloxyquinoline;4-[8-chloro-7-[[(3S)-4-methylmorpholin-3-yl]methoxy]-4-propan-2-yloxyquinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine;4-[8-chloro-7-[[(3R)-4-methylmorpholin-3-yl]methoxy]-4-propan-2-yloxyquinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine;4-[8-chloro-7-[[(3S)-morpholin-3-yl]methoxy]-4-propan-2-yloxyquinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine;4-[8-chloro-7-[[(3R)-morpholin-3-yl]methoxy]-4-propan-2-yloxyquinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine is sourced from PubChem (CID 159265228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).