4-(2-chloro-6-methoxyquinolin-4-yl)morpholine;2,4-dichloro-6-methoxyquinoline;1-[(3S)-3-[(6-methoxy-4-morpholin-4-ylquinolin-2-yl)amino]pyrrolidin-1-yl]-2-[4-(trifluoromethoxy)phenyl]ethanone

C51H51Cl3F3N7O7 — CID 157263635

About 4-(2-chloro-6-methoxyquinolin-4-yl)morpholine;2,4-dichloro-6-methoxyquinoline;1-[(3S)-3-[(6-methoxy-4-morpholin-4-ylquinolin-2-yl)amino]pyrrolidin-1-yl]-2-[4-(trifluoromethoxy)phenyl]ethanone

4-(2-chloro-6-methoxyquinolin-4-yl)morpholine;2,4-dichloro-6-methoxyquinoline;1-[(3S)-3-[(6-methoxy-4-morpholin-4-ylquinolin-2-yl)amino]pyrrolidin-1-yl]-2-[4-(trifluoromethoxy)phenyl]ethanone (PubChem CID 157263635) has the molecular formula C51H51Cl3F3N7O7 and a molecular weight of 1037.36 g/mol. Its IUPAC name is 4-(2-chloro-6-methoxyquinolin-4-yl)morpholine;2,4-dichloro-6-methoxyquinoline;1-[(3S)-3-[(6-methoxy-4-morpholin-4-ylquinolin-2-yl)amino]pyrrolidin-1-yl]-2-[4-(trifluoromethoxy)phenyl]ethanone.

Molecular Properties

• Compound Name: 4-(2-chloro-6-methoxyquinolin-4-yl)morpholine;2,4-dichloro-6-methoxyquinoline;1-[(3S)-3-[(6-methoxy-4-morpholin-4-ylquinolin-2-yl)amino]pyrrolidin-1-yl]-2-[4-(trifluoromethoxy)phenyl]ethanone
• PubChem CID: 157263635
• Molecular Formula: C51H51Cl3F3N7O7
• Molecular Weight: 1037.36 g/mol
• Exact Mass: 1035.29
• IUPAC Name: 4-(2-chloro-6-methoxyquinolin-4-yl)morpholine;2,4-dichloro-6-methoxyquinoline;1-[(3S)-3-[(6-methoxy-4-morpholin-4-ylquinolin-2-yl)amino]pyrrolidin-1-yl]-2-[4-(trifluoromethoxy)phenyl]ethanone
• SMILES: COc1ccc2nc(Cl)cc(Cl)c2c1.COc1ccc2nc(Cl)cc(N3CCOCC3)c2c1.COc1ccc2nc(N[C@H]3CCN(C(=O)Cc4ccc(OC(F)(F)F)cc4)C3)cc(N3CCOCC3)c2c1
• InChI: InChI=1S/C27H29F3N4O4.C14H15ClN2O2.C10H7Cl2NO/c1-36-21-6-7-23-22(15-21)24(33-10-12-37-13-11-33)16-25(32-23)31-19-8-9-34(17-19)26(35)14-18-2-4-20(5-3-18)38-27(28,29)30;1-18-10-2-3-12-11(8-10)13(9-14(15)16-12)17-4-6-19-7-5-17;1-14-6-2-3-9-7(4-6)8(11)5-10(12)13-9/h2-7,15-16,19H,8-14,17H2,1H3,(H,31,32);2-3,8-9H,4-7H2,1H3;2-5H,1H3/t19-;;/m0../s1
• InChIKey: AXTAZEQPEKLFSG-TXEPZDRESA-N
• XLogP: 10.52
• TPSA: 132.87 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 13
• Rotatable Bonds: 10
• Heavy Atoms: 71
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1037.36
LogP ≤ 5	10.52
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-(2-chloro-6-methoxyquinolin-4-yl)morpholine;2,4-dichloro-6-methoxyquinoline;1-[(3S)-3-[(6-methoxy-4-morpholin-4-ylquinolin-2-yl)amino]pyrrolidin-1-yl]-2-[4-(trifluoromethoxy)phenyl]ethanone?

The IUPAC name of 4-(2-chloro-6-methoxyquinolin-4-yl)morpholine;2,4-dichloro-6-methoxyquinoline;1-[(3S)-3-[(6-methoxy-4-morpholin-4-ylquinolin-2-yl)amino]pyrrolidin-1-yl]-2-[4-(trifluoromethoxy)phenyl]ethanone (CID 157263635) is 4-(2-chloro-6-methoxyquinolin-4-yl)morpholine;2,4-dichloro-6-methoxyquinoline;1-[(3S)-3-[(6-methoxy-4-morpholin-4-ylquinolin-2-yl)amino]pyrrolidin-1-yl]-2-[4-(trifluoromethoxy)phenyl]ethanone.

What is the SMILES notation for 4-(2-chloro-6-methoxyquinolin-4-yl)morpholine;2,4-dichloro-6-methoxyquinoline;1-[(3S)-3-[(6-methoxy-4-morpholin-4-ylquinolin-2-yl)amino]pyrrolidin-1-yl]-2-[4-(trifluoromethoxy)phenyl]ethanone?

The canonical SMILES for 4-(2-chloro-6-methoxyquinolin-4-yl)morpholine;2,4-dichloro-6-methoxyquinoline;1-[(3S)-3-[(6-methoxy-4-morpholin-4-ylquinolin-2-yl)amino]pyrrolidin-1-yl]-2-[4-(trifluoromethoxy)phenyl]ethanone is COc1ccc2nc(Cl)cc(Cl)c2c1.COc1ccc2nc(Cl)cc(N3CCOCC3)c2c1.COc1ccc2nc(N[C@H]3CCN(C(=O)Cc4ccc(OC(F)(F)F)cc4)C3)cc(N3CCOCC3)c2c1.

What is the InChIKey of 4-(2-chloro-6-methoxyquinolin-4-yl)morpholine;2,4-dichloro-6-methoxyquinoline;1-[(3S)-3-[(6-methoxy-4-morpholin-4-ylquinolin-2-yl)amino]pyrrolidin-1-yl]-2-[4-(trifluoromethoxy)phenyl]ethanone?

The InChIKey is AXTAZEQPEKLFSG-TXEPZDRESA-N. The full InChI is InChI=1S/C27H29F3N4O4.C14H15ClN2O2.C10H7Cl2NO/c1-36-21-6-7-23-22(15-21)24(33-10-12-37-13-11-33)16-25(32-23)31-19-8-9-34(17-19)26(35)14-18-2-4-20(5-3-18)38-27(28,29)30;1-18-10-2-3-12-11(8-10)13(9-14(15)16-12)17-4-6-19-7-5-17;1-14-6-2-3-9-7(4-6)8(11)5-10(12)13-9/h2-7,15-16,19H,8-14,17H2,1H3,(H,31,32);2-3,8-9H,4-7H2,1H3;2-5H,1H3/t19-;;/m0../s1.

What are the key properties of 4-(2-chloro-6-methoxyquinolin-4-yl)morpholine;2,4-dichloro-6-methoxyquinoline;1-[(3S)-3-[(6-methoxy-4-morpholin-4-ylquinolin-2-yl)amino]pyrrolidin-1-yl]-2-[4-(trifluoromethoxy)phenyl]ethanone?

4-(2-chloro-6-methoxyquinolin-4-yl)morpholine;2,4-dichloro-6-methoxyquinoline;1-[(3S)-3-[(6-methoxy-4-morpholin-4-ylquinolin-2-yl)amino]pyrrolidin-1-yl]-2-[4-(trifluoromethoxy)phenyl]ethanone has a molecular weight of 1037.36 g/mol, XLogP of 10.52, 10 rotatable bonds, 1 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(2-chloro-6-methoxyquinolin-4-yl)morpholine;2,4-dichloro-6-methoxyquinoline;1-[(3S)-3-[(6-methoxy-4-morpholin-4-ylquinolin-2-yl)amino]pyrrolidin-1-yl]-2-[4-(trifluoromethoxy)phenyl]ethanone is sourced from PubChem (CID 157263635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).