4-chloro-5,7-difluoro-3-methyl-2-pyridin-2-ylquinoline;5,7-difluoro-N-[2-(6-methoxy-3-pyridinyl)-5-morpholin-4-ylphenyl]-3-methyl-2-pyridin-2-ylquinolin-4-amine;2-(6-methoxy-3-pyridinyl)-5-morpholin-4-ylaniline

C62H55ClF4N10O4 — CID 162120593

About 4-chloro-5,7-difluoro-3-methyl-2-pyridin-2-ylquinoline;5,7-difluoro-N-[2-(6-methoxy-3-pyridinyl)-5-morpholin-4-ylphenyl]-3-methyl-2-pyridin-2-ylquinolin-4-amine;2-(6-methoxy-3-pyridinyl)-5-morpholin-4-ylaniline

4-chloro-5,7-difluoro-3-methyl-2-pyridin-2-ylquinoline;5,7-difluoro-N-[2-(6-methoxy-3-pyridinyl)-5-morpholin-4-ylphenyl]-3-methyl-2-pyridin-2-ylquinolin-4-amine;2-(6-methoxy-3-pyridinyl)-5-morpholin-4-ylaniline (PubChem CID 162120593) has the molecular formula C62H55ClF4N10O4 and a molecular weight of 1115.63 g/mol. Its IUPAC name is 4-chloro-5,7-difluoro-3-methyl-2-pyridin-2-ylquinoline;5,7-difluoro-N-[2-(6-methoxy-3-pyridinyl)-5-morpholin-4-ylphenyl]-3-methyl-2-pyridin-2-ylquinolin-4-amine;2-(6-methoxy-3-pyridinyl)-5-morpholin-4-ylaniline.

Molecular Properties

• Compound Name: 4-chloro-5,7-difluoro-3-methyl-2-pyridin-2-ylquinoline;5,7-difluoro-N-[2-(6-methoxy-3-pyridinyl)-5-morpholin-4-ylphenyl]-3-methyl-2-pyridin-2-ylquinolin-4-amine;2-(6-methoxy-3-pyridinyl)-5-morpholin-4-ylaniline
• PubChem CID: 162120593
• Molecular Formula: C62H55ClF4N10O4
• Molecular Weight: 1115.63 g/mol
• Exact Mass: 1114.40
• IUPAC Name: 4-chloro-5,7-difluoro-3-methyl-2-pyridin-2-ylquinoline;5,7-difluoro-N-[2-(6-methoxy-3-pyridinyl)-5-morpholin-4-ylphenyl]-3-methyl-2-pyridin-2-ylquinolin-4-amine;2-(6-methoxy-3-pyridinyl)-5-morpholin-4-ylaniline
• SMILES: COc1ccc(-c2ccc(N3CCOCC3)cc2N)cn1.COc1ccc(-c2ccc(N3CCOCC3)cc2Nc2c(C)c(-c3ccccn3)nc3cc(F)cc(F)c23)cn1.Cc1c(-c2ccccn2)nc2cc(F)cc(F)c2c1Cl
• InChI: InChI=1S/C31H27F2N5O2.C16H19N3O2.C15H9ClF2N2/c1-19-30(25-5-3-4-10-34-25)37-27-16-21(32)15-24(33)29(27)31(19)36-26-17-22(38-11-13-40-14-12-38)7-8-23(26)20-6-9-28(39-2)35-18-20;1-20-16-5-2-12(11-18-16)14-4-3-13(10-15(14)17)19-6-8-21-9-7-19;1-8-14(16)13-10(18)6-9(17)7-12(13)20-15(8)11-4-2-3-5-19-11/h3-10,15-18H,11-14H2,1-2H3,(H,36,37);2-5,10-11H,6-9,17H2,1H3;2-7H,1H3
• InChIKey: ZHIVWYNVYQORQL-UHFFFAOYSA-N
• XLogP: 13.25
• TPSA: 158.79 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 14
• Rotatable Bonds: 10
• Heavy Atoms: 81
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1115.63
LogP ≤ 5	13.25
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5,7-difluoro-3-methyl-2-pyridin-2-ylquinoline;5,7-difluoro-N-[2-(6-methoxy-3-pyridinyl)-5-morpholin-4-ylphenyl]-3-methyl-2-pyridin-2-ylquinolin-4-amine;2-(6-methoxy-3-pyridinyl)-5-morpholin-4-ylaniline?

The IUPAC name of 4-chloro-5,7-difluoro-3-methyl-2-pyridin-2-ylquinoline;5,7-difluoro-N-[2-(6-methoxy-3-pyridinyl)-5-morpholin-4-ylphenyl]-3-methyl-2-pyridin-2-ylquinolin-4-amine;2-(6-methoxy-3-pyridinyl)-5-morpholin-4-ylaniline (CID 162120593) is 4-chloro-5,7-difluoro-3-methyl-2-pyridin-2-ylquinoline;5,7-difluoro-N-[2-(6-methoxy-3-pyridinyl)-5-morpholin-4-ylphenyl]-3-methyl-2-pyridin-2-ylquinolin-4-amine;2-(6-methoxy-3-pyridinyl)-5-morpholin-4-ylaniline.

What is the SMILES notation for 4-chloro-5,7-difluoro-3-methyl-2-pyridin-2-ylquinoline;5,7-difluoro-N-[2-(6-methoxy-3-pyridinyl)-5-morpholin-4-ylphenyl]-3-methyl-2-pyridin-2-ylquinolin-4-amine;2-(6-methoxy-3-pyridinyl)-5-morpholin-4-ylaniline?

The canonical SMILES for 4-chloro-5,7-difluoro-3-methyl-2-pyridin-2-ylquinoline;5,7-difluoro-N-[2-(6-methoxy-3-pyridinyl)-5-morpholin-4-ylphenyl]-3-methyl-2-pyridin-2-ylquinolin-4-amine;2-(6-methoxy-3-pyridinyl)-5-morpholin-4-ylaniline is COc1ccc(-c2ccc(N3CCOCC3)cc2N)cn1.COc1ccc(-c2ccc(N3CCOCC3)cc2Nc2c(C)c(-c3ccccn3)nc3cc(F)cc(F)c23)cn1.Cc1c(-c2ccccn2)nc2cc(F)cc(F)c2c1Cl.

What is the InChIKey of 4-chloro-5,7-difluoro-3-methyl-2-pyridin-2-ylquinoline;5,7-difluoro-N-[2-(6-methoxy-3-pyridinyl)-5-morpholin-4-ylphenyl]-3-methyl-2-pyridin-2-ylquinolin-4-amine;2-(6-methoxy-3-pyridinyl)-5-morpholin-4-ylaniline?

The InChIKey is ZHIVWYNVYQORQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H27F2N5O2.C16H19N3O2.C15H9ClF2N2/c1-19-30(25-5-3-4-10-34-25)37-27-16-21(32)15-24(33)29(27)31(19)36-26-17-22(38-11-13-40-14-12-38)7-8-23(26)20-6-9-28(39-2)35-18-20;1-20-16-5-2-12(11-18-16)14-4-3-13(10-15(14)17)19-6-8-21-9-7-19;1-8-14(16)13-10(18)6-9(17)7-12(13)20-15(8)11-4-2-3-5-19-11/h3-10,15-18H,11-14H2,1-2H3,(H,36,37);2-5,10-11H,6-9,17H2,1H3;2-7H,1H3.

What are the key properties of 4-chloro-5,7-difluoro-3-methyl-2-pyridin-2-ylquinoline;5,7-difluoro-N-[2-(6-methoxy-3-pyridinyl)-5-morpholin-4-ylphenyl]-3-methyl-2-pyridin-2-ylquinolin-4-amine;2-(6-methoxy-3-pyridinyl)-5-morpholin-4-ylaniline?

4-chloro-5,7-difluoro-3-methyl-2-pyridin-2-ylquinoline;5,7-difluoro-N-[2-(6-methoxy-3-pyridinyl)-5-morpholin-4-ylphenyl]-3-methyl-2-pyridin-2-ylquinolin-4-amine;2-(6-methoxy-3-pyridinyl)-5-morpholin-4-ylaniline has a molecular weight of 1115.63 g/mol, XLogP of 13.25, 10 rotatable bonds, 2 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 4-chloro-5,7-difluoro-3-methyl-2-pyridin-2-ylquinoline;5,7-difluoro-N-[2-(6-methoxy-3-pyridinyl)-5-morpholin-4-ylphenyl]-3-methyl-2-pyridin-2-ylquinolin-4-amine;2-(6-methoxy-3-pyridinyl)-5-morpholin-4-ylaniline is sourced from PubChem (CID 162120593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).