4-chloro-5,7-difluoro-3-methyl-2-pyridin-2-ylquinoline;2-(3,6-dihydro-2H-1,4-oxazin-4-ium-4-yl)-5-(6-methoxy-3-pyridinyl)pyridin-4-amine;N-[2-(3,6-dihydro-2H-1,4-oxazin-4-ium-4-yl)-5-(6-methoxy-3-pyridinyl)-4-pyridinyl]-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine

C60H51ClF4N12O4+2 — CID 158461043

About 4-chloro-5,7-difluoro-3-methyl-2-pyridin-2-ylquinoline;2-(3,6-dihydro-2H-1,4-oxazin-4-ium-4-yl)-5-(6-methoxy-3-pyridinyl)pyridin-4-amine;N-[2-(3,6-dihydro-2H-1,4-oxazin-4-ium-4-yl)-5-(6-methoxy-3-pyridinyl)-4-pyridinyl]-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine

4-chloro-5,7-difluoro-3-methyl-2-pyridin-2-ylquinoline;2-(3,6-dihydro-2H-1,4-oxazin-4-ium-4-yl)-5-(6-methoxy-3-pyridinyl)pyridin-4-amine;N-[2-(3,6-dihydro-2H-1,4-oxazin-4-ium-4-yl)-5-(6-methoxy-3-pyridinyl)-4-pyridinyl]-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine (PubChem CID 158461043) has the molecular formula C60H51ClF4N12O4+2 and a molecular weight of 1115.59 g/mol. Its IUPAC name is 4-chloro-5,7-difluoro-3-methyl-2-pyridin-2-ylquinoline;2-(3,6-dihydro-2H-1,4-oxazin-4-ium-4-yl)-5-(6-methoxy-3-pyridinyl)pyridin-4-amine;N-[2-(3,6-dihydro-2H-1,4-oxazin-4-ium-4-yl)-5-(6-methoxy-3-pyridinyl)-4-pyridinyl]-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine.

Molecular Properties

• Compound Name: 4-chloro-5,7-difluoro-3-methyl-2-pyridin-2-ylquinoline;2-(3,6-dihydro-2H-1,4-oxazin-4-ium-4-yl)-5-(6-methoxy-3-pyridinyl)pyridin-4-amine;N-[2-(3,6-dihydro-2H-1,4-oxazin-4-ium-4-yl)-5-(6-methoxy-3-pyridinyl)-4-pyridinyl]-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine
• PubChem CID: 158461043
• Molecular Formula: C60H51ClF4N12O4+2
• Molecular Weight: 1115.59 g/mol
• Exact Mass: 1114.38
• IUPAC Name: 4-chloro-5,7-difluoro-3-methyl-2-pyridin-2-ylquinoline;2-(3,6-dihydro-2H-1,4-oxazin-4-ium-4-yl)-5-(6-methoxy-3-pyridinyl)pyridin-4-amine;N-[2-(3,6-dihydro-2H-1,4-oxazin-4-ium-4-yl)-5-(6-methoxy-3-pyridinyl)-4-pyridinyl]-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine
• SMILES: COc1ccc(-c2cnc([N+]3=CCOCC3)cc2N)cn1.COc1ccc(-c2cnc([N+]3=CCOCC3)cc2Nc2c(C)c(-c3ccccn3)nc3cc(F)cc(F)c23)cn1.Cc1c(-c2ccccn2)nc2cc(F)cc(F)c2c1Cl
• InChI: InChI=1S/C30H25F2N6O2.C15H9ClF2N2.C15H17N4O2/c1-18-29(23-5-3-4-8-33-23)37-25-14-20(31)13-22(32)28(25)30(18)36-24-15-26(38-9-11-40-12-10-38)34-17-21(24)19-6-7-27(39-2)35-16-19;1-8-14(16)13-10(18)6-9(17)7-12(13)20-15(8)11-4-2-3-5-19-11;1-20-15-3-2-11(9-18-15)12-10-17-14(8-13(12)16)19-4-6-21-7-5-19/h3-9,13-17H,10-12H2,1-2H3,(H,34,36,37);2-7H,1H3;2-4,8-10H,5-7H2,1H3,(H2,16,17)/q+1;;+1
• InChIKey: CZDZLAOKTJHWNK-UHFFFAOYSA-N
• XLogP: 11.85
• TPSA: 184.11 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	1115.59
LogP ≤ 5	11.85
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5,7-difluoro-3-methyl-2-pyridin-2-ylquinoline;2-(3,6-dihydro-2H-1,4-oxazin-4-ium-4-yl)-5-(6-methoxy-3-pyridinyl)pyridin-4-amine;N-[2-(3,6-dihydro-2H-1,4-oxazin-4-ium-4-yl)-5-(6-methoxy-3-pyridinyl)-4-pyridinyl]-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine?

The IUPAC name of 4-chloro-5,7-difluoro-3-methyl-2-pyridin-2-ylquinoline;2-(3,6-dihydro-2H-1,4-oxazin-4-ium-4-yl)-5-(6-methoxy-3-pyridinyl)pyridin-4-amine;N-[2-(3,6-dihydro-2H-1,4-oxazin-4-ium-4-yl)-5-(6-methoxy-3-pyridinyl)-4-pyridinyl]-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine (CID 158461043) is 4-chloro-5,7-difluoro-3-methyl-2-pyridin-2-ylquinoline;2-(3,6-dihydro-2H-1,4-oxazin-4-ium-4-yl)-5-(6-methoxy-3-pyridinyl)pyridin-4-amine;N-[2-(3,6-dihydro-2H-1,4-oxazin-4-ium-4-yl)-5-(6-methoxy-3-pyridinyl)-4-pyridinyl]-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine.

What is the SMILES notation for 4-chloro-5,7-difluoro-3-methyl-2-pyridin-2-ylquinoline;2-(3,6-dihydro-2H-1,4-oxazin-4-ium-4-yl)-5-(6-methoxy-3-pyridinyl)pyridin-4-amine;N-[2-(3,6-dihydro-2H-1,4-oxazin-4-ium-4-yl)-5-(6-methoxy-3-pyridinyl)-4-pyridinyl]-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine?

The canonical SMILES for 4-chloro-5,7-difluoro-3-methyl-2-pyridin-2-ylquinoline;2-(3,6-dihydro-2H-1,4-oxazin-4-ium-4-yl)-5-(6-methoxy-3-pyridinyl)pyridin-4-amine;N-[2-(3,6-dihydro-2H-1,4-oxazin-4-ium-4-yl)-5-(6-methoxy-3-pyridinyl)-4-pyridinyl]-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine is COc1ccc(-c2cnc([N+]3=CCOCC3)cc2N)cn1.COc1ccc(-c2cnc([N+]3=CCOCC3)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;2-(3,6-dihydro-2H-1,4-oxazin-4-ium-4-yl)-5-(6-methoxy-3-pyridinyl)pyridin-4-amine;N-[2-(3,6-dihydro-2H-1,4-oxazin-4-ium-4-yl)-5-(6-methoxy-3-pyridinyl)-4-pyridinyl]-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine?

The InChIKey is CZDZLAOKTJHWNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H25F2N6O2.C15H9ClF2N2.C15H17N4O2/c1-18-29(23-5-3-4-8-33-23)37-25-14-20(31)13-22(32)28(25)30(18)36-24-15-26(38-9-11-40-12-10-38)34-17-21(24)19-6-7-27(39-2)35-16-19;1-8-14(16)13-10(18)6-9(17)7-12(13)20-15(8)11-4-2-3-5-19-11;1-20-15-3-2-11(9-18-15)12-10-17-14(8-13(12)16)19-4-6-21-7-5-19/h3-9,13-17H,10-12H2,1-2H3,(H,34,36,37);2-7H,1H3;2-4,8-10H,5-7H2,1H3,(H2,16,17)/q+1;;+1.

What are the key properties of 4-chloro-5,7-difluoro-3-methyl-2-pyridin-2-ylquinoline;2-(3,6-dihydro-2H-1,4-oxazin-4-ium-4-yl)-5-(6-methoxy-3-pyridinyl)pyridin-4-amine;N-[2-(3,6-dihydro-2H-1,4-oxazin-4-ium-4-yl)-5-(6-methoxy-3-pyridinyl)-4-pyridinyl]-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine?

4-chloro-5,7-difluoro-3-methyl-2-pyridin-2-ylquinoline;2-(3,6-dihydro-2H-1,4-oxazin-4-ium-4-yl)-5-(6-methoxy-3-pyridinyl)pyridin-4-amine;N-[2-(3,6-dihydro-2H-1,4-oxazin-4-ium-4-yl)-5-(6-methoxy-3-pyridinyl)-4-pyridinyl]-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine has a molecular weight of 1115.59 g/mol, XLogP of 11.85, 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;2-(3,6-dihydro-2H-1,4-oxazin-4-ium-4-yl)-5-(6-methoxy-3-pyridinyl)pyridin-4-amine;N-[2-(3,6-dihydro-2H-1,4-oxazin-4-ium-4-yl)-5-(6-methoxy-3-pyridinyl)-4-pyridinyl]-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine is sourced from PubChem (CID 158461043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).