4-bromo-5,7-difluoro-3-methyl-2-pyridin-2-ylquinoline;2-chloro-5-morpholin-4-ylpyridin-3-amine;N-(2-chloro-5-morpholin-4-yl-3-pyridinyl)-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine

C48H41BrCl2F4N10O2 — CID 159393084

About 4-bromo-5,7-difluoro-3-methyl-2-pyridin-2-ylquinoline;2-chloro-5-morpholin-4-ylpyridin-3-amine;N-(2-chloro-5-morpholin-4-yl-3-pyridinyl)-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine

4-bromo-5,7-difluoro-3-methyl-2-pyridin-2-ylquinoline;2-chloro-5-morpholin-4-ylpyridin-3-amine;N-(2-chloro-5-morpholin-4-yl-3-pyridinyl)-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine (PubChem CID 159393084) has the molecular formula C48H41BrCl2F4N10O2 and a molecular weight of 1016.73 g/mol. Its IUPAC name is 4-bromo-5,7-difluoro-3-methyl-2-pyridin-2-ylquinoline;2-chloro-5-morpholin-4-ylpyridin-3-amine;N-(2-chloro-5-morpholin-4-yl-3-pyridinyl)-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine.

Molecular Properties

• Compound Name: 4-bromo-5,7-difluoro-3-methyl-2-pyridin-2-ylquinoline;2-chloro-5-morpholin-4-ylpyridin-3-amine;N-(2-chloro-5-morpholin-4-yl-3-pyridinyl)-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine
• PubChem CID: 159393084
• Molecular Formula: C48H41BrCl2F4N10O2
• Molecular Weight: 1016.73 g/mol
• Exact Mass: 1014.19
• IUPAC Name: 4-bromo-5,7-difluoro-3-methyl-2-pyridin-2-ylquinoline;2-chloro-5-morpholin-4-ylpyridin-3-amine;N-(2-chloro-5-morpholin-4-yl-3-pyridinyl)-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine
• SMILES: Cc1c(-c2ccccn2)nc2cc(F)cc(F)c2c1Br.Cc1c(-c2ccccn2)nc2cc(F)cc(F)c2c1Nc1cc(N2CCOCC2)cnc1Cl.Nc1cc(N2CCOCC2)cnc1Cl
• InChI: InChI=1S/C24H20ClF2N5O.C15H9BrF2N2.C9H12ClN3O/c1-14-22(18-4-2-3-5-28-18)30-19-11-15(26)10-17(27)21(19)23(14)31-20-12-16(13-29-24(20)25)32-6-8-33-9-7-32;1-8-14(16)13-10(18)6-9(17)7-12(13)20-15(8)11-4-2-3-5-19-11;10-9-8(11)5-7(6-12-9)13-1-3-14-4-2-13/h2-5,10-13H,6-9H2,1H3,(H,30,31);2-7H,1H3;5-6H,1-4,11H2
• InChIKey: LMJGUKVWBMRGJO-UHFFFAOYSA-N
• XLogP: 11.31
• TPSA: 140.33 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 12
• Rotatable Bonds: 6
• Heavy Atoms: 67
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1016.73
LogP ≤ 5	11.31
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-bromo-5,7-difluoro-3-methyl-2-pyridin-2-ylquinoline;2-chloro-5-morpholin-4-ylpyridin-3-amine;N-(2-chloro-5-morpholin-4-yl-3-pyridinyl)-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine?

The IUPAC name of 4-bromo-5,7-difluoro-3-methyl-2-pyridin-2-ylquinoline;2-chloro-5-morpholin-4-ylpyridin-3-amine;N-(2-chloro-5-morpholin-4-yl-3-pyridinyl)-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine (CID 159393084) is 4-bromo-5,7-difluoro-3-methyl-2-pyridin-2-ylquinoline;2-chloro-5-morpholin-4-ylpyridin-3-amine;N-(2-chloro-5-morpholin-4-yl-3-pyridinyl)-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine.

What is the SMILES notation for 4-bromo-5,7-difluoro-3-methyl-2-pyridin-2-ylquinoline;2-chloro-5-morpholin-4-ylpyridin-3-amine;N-(2-chloro-5-morpholin-4-yl-3-pyridinyl)-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine?

The canonical SMILES for 4-bromo-5,7-difluoro-3-methyl-2-pyridin-2-ylquinoline;2-chloro-5-morpholin-4-ylpyridin-3-amine;N-(2-chloro-5-morpholin-4-yl-3-pyridinyl)-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine is Cc1c(-c2ccccn2)nc2cc(F)cc(F)c2c1Br.Cc1c(-c2ccccn2)nc2cc(F)cc(F)c2c1Nc1cc(N2CCOCC2)cnc1Cl.Nc1cc(N2CCOCC2)cnc1Cl.

What is the InChIKey of 4-bromo-5,7-difluoro-3-methyl-2-pyridin-2-ylquinoline;2-chloro-5-morpholin-4-ylpyridin-3-amine;N-(2-chloro-5-morpholin-4-yl-3-pyridinyl)-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine?

The InChIKey is LMJGUKVWBMRGJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20ClF2N5O.C15H9BrF2N2.C9H12ClN3O/c1-14-22(18-4-2-3-5-28-18)30-19-11-15(26)10-17(27)21(19)23(14)31-20-12-16(13-29-24(20)25)32-6-8-33-9-7-32;1-8-14(16)13-10(18)6-9(17)7-12(13)20-15(8)11-4-2-3-5-19-11;10-9-8(11)5-7(6-12-9)13-1-3-14-4-2-13/h2-5,10-13H,6-9H2,1H3,(H,30,31);2-7H,1H3;5-6H,1-4,11H2.

What are the key properties of 4-bromo-5,7-difluoro-3-methyl-2-pyridin-2-ylquinoline;2-chloro-5-morpholin-4-ylpyridin-3-amine;N-(2-chloro-5-morpholin-4-yl-3-pyridinyl)-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine?

4-bromo-5,7-difluoro-3-methyl-2-pyridin-2-ylquinoline;2-chloro-5-morpholin-4-ylpyridin-3-amine;N-(2-chloro-5-morpholin-4-yl-3-pyridinyl)-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine has a molecular weight of 1016.73 g/mol, XLogP of 11.31, 6 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 4-bromo-5,7-difluoro-3-methyl-2-pyridin-2-ylquinoline;2-chloro-5-morpholin-4-ylpyridin-3-amine;N-(2-chloro-5-morpholin-4-yl-3-pyridinyl)-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine is sourced from PubChem (CID 159393084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).