4-chloro-2-(5-chloro-3-pyridinyl)-5,7-difluoro-3-methylquinoline;2-(5-chloro-3-pyridinyl)-N-(2,5-dimorpholin-4-yl-3-pyridinyl)-5,7-difluoro-3-methylquinolin-4-amine

C43H35Cl3F4N8O2 — CID 159171837

About 4-chloro-2-(5-chloro-3-pyridinyl)-5,7-difluoro-3-methylquinoline;2-(5-chloro-3-pyridinyl)-N-(2,5-dimorpholin-4-yl-3-pyridinyl)-5,7-difluoro-3-methylquinolin-4-amine

4-chloro-2-(5-chloro-3-pyridinyl)-5,7-difluoro-3-methylquinoline;2-(5-chloro-3-pyridinyl)-N-(2,5-dimorpholin-4-yl-3-pyridinyl)-5,7-difluoro-3-methylquinolin-4-amine (PubChem CID 159171837) has the molecular formula C43H35Cl3F4N8O2 and a molecular weight of 878.16 g/mol. Its IUPAC name is 4-chloro-2-(5-chloro-3-pyridinyl)-5,7-difluoro-3-methylquinoline;2-(5-chloro-3-pyridinyl)-N-(2,5-dimorpholin-4-yl-3-pyridinyl)-5,7-difluoro-3-methylquinolin-4-amine.

Molecular Properties

• Compound Name: 4-chloro-2-(5-chloro-3-pyridinyl)-5,7-difluoro-3-methylquinoline;2-(5-chloro-3-pyridinyl)-N-(2,5-dimorpholin-4-yl-3-pyridinyl)-5,7-difluoro-3-methylquinolin-4-amine
• PubChem CID: 159171837
• Molecular Formula: C43H35Cl3F4N8O2
• Molecular Weight: 878.16 g/mol
• Exact Mass: 876.19
• IUPAC Name: 4-chloro-2-(5-chloro-3-pyridinyl)-5,7-difluoro-3-methylquinoline;2-(5-chloro-3-pyridinyl)-N-(2,5-dimorpholin-4-yl-3-pyridinyl)-5,7-difluoro-3-methylquinolin-4-amine
• SMILES: Cc1c(-c2cncc(Cl)c2)nc2cc(F)cc(F)c2c1Cl.Cc1c(-c2cncc(Cl)c2)nc2cc(F)cc(F)c2c1Nc1cc(N2CCOCC2)cnc1N1CCOCC1
• InChI: InChI=1S/C28H27ClF2N6O2.C15H8Cl2F2N2/c1-17-26(18-10-19(29)15-32-14-18)34-23-12-20(30)11-22(31)25(23)27(17)35-24-13-21(36-2-6-38-7-3-36)16-33-28(24)37-4-8-39-9-5-37;1-7-14(17)13-11(19)3-10(18)4-12(13)21-15(7)8-2-9(16)6-20-5-8/h10-16H,2-9H2,1H3,(H,34,35);2-6H,1H3
• InChIKey: KLUCANHURKXIDC-UHFFFAOYSA-N
• XLogP: 10.54
• TPSA: 101.42 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 6
• Heavy Atoms: 60
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	878.16
LogP ≤ 5	10.54
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(5-chloro-3-pyridinyl)-5,7-difluoro-3-methylquinoline;2-(5-chloro-3-pyridinyl)-N-(2,5-dimorpholin-4-yl-3-pyridinyl)-5,7-difluoro-3-methylquinolin-4-amine?

The IUPAC name of 4-chloro-2-(5-chloro-3-pyridinyl)-5,7-difluoro-3-methylquinoline;2-(5-chloro-3-pyridinyl)-N-(2,5-dimorpholin-4-yl-3-pyridinyl)-5,7-difluoro-3-methylquinolin-4-amine (CID 159171837) is 4-chloro-2-(5-chloro-3-pyridinyl)-5,7-difluoro-3-methylquinoline;2-(5-chloro-3-pyridinyl)-N-(2,5-dimorpholin-4-yl-3-pyridinyl)-5,7-difluoro-3-methylquinolin-4-amine.

What is the SMILES notation for 4-chloro-2-(5-chloro-3-pyridinyl)-5,7-difluoro-3-methylquinoline;2-(5-chloro-3-pyridinyl)-N-(2,5-dimorpholin-4-yl-3-pyridinyl)-5,7-difluoro-3-methylquinolin-4-amine?

The canonical SMILES for 4-chloro-2-(5-chloro-3-pyridinyl)-5,7-difluoro-3-methylquinoline;2-(5-chloro-3-pyridinyl)-N-(2,5-dimorpholin-4-yl-3-pyridinyl)-5,7-difluoro-3-methylquinolin-4-amine is Cc1c(-c2cncc(Cl)c2)nc2cc(F)cc(F)c2c1Cl.Cc1c(-c2cncc(Cl)c2)nc2cc(F)cc(F)c2c1Nc1cc(N2CCOCC2)cnc1N1CCOCC1.

What is the InChIKey of 4-chloro-2-(5-chloro-3-pyridinyl)-5,7-difluoro-3-methylquinoline;2-(5-chloro-3-pyridinyl)-N-(2,5-dimorpholin-4-yl-3-pyridinyl)-5,7-difluoro-3-methylquinolin-4-amine?

The InChIKey is KLUCANHURKXIDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27ClF2N6O2.C15H8Cl2F2N2/c1-17-26(18-10-19(29)15-32-14-18)34-23-12-20(30)11-22(31)25(23)27(17)35-24-13-21(36-2-6-38-7-3-36)16-33-28(24)37-4-8-39-9-5-37;1-7-14(17)13-11(19)3-10(18)4-12(13)21-15(7)8-2-9(16)6-20-5-8/h10-16H,2-9H2,1H3,(H,34,35);2-6H,1H3.

What are the key properties of 4-chloro-2-(5-chloro-3-pyridinyl)-5,7-difluoro-3-methylquinoline;2-(5-chloro-3-pyridinyl)-N-(2,5-dimorpholin-4-yl-3-pyridinyl)-5,7-difluoro-3-methylquinolin-4-amine?

4-chloro-2-(5-chloro-3-pyridinyl)-5,7-difluoro-3-methylquinoline;2-(5-chloro-3-pyridinyl)-N-(2,5-dimorpholin-4-yl-3-pyridinyl)-5,7-difluoro-3-methylquinolin-4-amine has a molecular weight of 878.16 g/mol, XLogP of 10.54, 6 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 4-chloro-2-(5-chloro-3-pyridinyl)-5,7-difluoro-3-methylquinoline;2-(5-chloro-3-pyridinyl)-N-(2,5-dimorpholin-4-yl-3-pyridinyl)-5,7-difluoro-3-methylquinolin-4-amine is sourced from PubChem (CID 159171837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).