4-chloro-5,7-difluoro-3-methyl-2-(4-methyl-2-pyridinyl)quinoline;N-(2,5-dimorpholin-4-yl-3-pyridinyl)-5,7-difluoro-3-methyl-2-(4-methyl-2-pyridinyl)quinolin-4-amine

C45H41ClF4N8O2 — CID 157054036

About 4-chloro-5,7-difluoro-3-methyl-2-(4-methyl-2-pyridinyl)quinoline;N-(2,5-dimorpholin-4-yl-3-pyridinyl)-5,7-difluoro-3-methyl-2-(4-methyl-2-pyridinyl)quinolin-4-amine

4-chloro-5,7-difluoro-3-methyl-2-(4-methyl-2-pyridinyl)quinoline;N-(2,5-dimorpholin-4-yl-3-pyridinyl)-5,7-difluoro-3-methyl-2-(4-methyl-2-pyridinyl)quinolin-4-amine (PubChem CID 157054036) has the molecular formula C45H41ClF4N8O2 and a molecular weight of 837.32 g/mol. Its IUPAC name is 4-chloro-5,7-difluoro-3-methyl-2-(4-methyl-2-pyridinyl)quinoline;N-(2,5-dimorpholin-4-yl-3-pyridinyl)-5,7-difluoro-3-methyl-2-(4-methyl-2-pyridinyl)quinolin-4-amine.

Molecular Properties

• Compound Name: 4-chloro-5,7-difluoro-3-methyl-2-(4-methyl-2-pyridinyl)quinoline;N-(2,5-dimorpholin-4-yl-3-pyridinyl)-5,7-difluoro-3-methyl-2-(4-methyl-2-pyridinyl)quinolin-4-amine
• PubChem CID: 157054036
• Molecular Formula: C45H41ClF4N8O2
• Molecular Weight: 837.32 g/mol
• Exact Mass: 836.30
• IUPAC Name: 4-chloro-5,7-difluoro-3-methyl-2-(4-methyl-2-pyridinyl)quinoline;N-(2,5-dimorpholin-4-yl-3-pyridinyl)-5,7-difluoro-3-methyl-2-(4-methyl-2-pyridinyl)quinolin-4-amine
• SMILES: Cc1ccnc(-c2nc3cc(F)cc(F)c3c(Cl)c2C)c1.Cc1ccnc(-c2nc3cc(F)cc(F)c3c(Nc3cc(N4CCOCC4)cnc3N3CCOCC3)c2C)c1
• InChI: InChI=1S/C29H30F2N6O2.C16H11ClF2N2/c1-18-3-4-32-24(13-18)27-19(2)28(26-22(31)14-20(30)15-23(26)34-27)35-25-16-21(36-5-9-38-10-6-36)17-33-29(25)37-7-11-39-12-8-37;1-8-3-4-20-13(5-8)16-9(2)15(17)14-11(19)6-10(18)7-12(14)21-16/h3-4,13-17H,5-12H2,1-2H3,(H,34,35);3-7H,1-2H3
• InChIKey: AANPOALTXCYRAR-UHFFFAOYSA-N
• XLogP: 9.85
• 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	837.32
LogP ≤ 5	9.85
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

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

The IUPAC name of 4-chloro-5,7-difluoro-3-methyl-2-(4-methyl-2-pyridinyl)quinoline;N-(2,5-dimorpholin-4-yl-3-pyridinyl)-5,7-difluoro-3-methyl-2-(4-methyl-2-pyridinyl)quinolin-4-amine (CID 157054036) is 4-chloro-5,7-difluoro-3-methyl-2-(4-methyl-2-pyridinyl)quinoline;N-(2,5-dimorpholin-4-yl-3-pyridinyl)-5,7-difluoro-3-methyl-2-(4-methyl-2-pyridinyl)quinolin-4-amine.

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

The canonical SMILES for 4-chloro-5,7-difluoro-3-methyl-2-(4-methyl-2-pyridinyl)quinoline;N-(2,5-dimorpholin-4-yl-3-pyridinyl)-5,7-difluoro-3-methyl-2-(4-methyl-2-pyridinyl)quinolin-4-amine is Cc1ccnc(-c2nc3cc(F)cc(F)c3c(Cl)c2C)c1.Cc1ccnc(-c2nc3cc(F)cc(F)c3c(Nc3cc(N4CCOCC4)cnc3N3CCOCC3)c2C)c1.

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

The InChIKey is AANPOALTXCYRAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30F2N6O2.C16H11ClF2N2/c1-18-3-4-32-24(13-18)27-19(2)28(26-22(31)14-20(30)15-23(26)34-27)35-25-16-21(36-5-9-38-10-6-36)17-33-29(25)37-7-11-39-12-8-37;1-8-3-4-20-13(5-8)16-9(2)15(17)14-11(19)6-10(18)7-12(14)21-16/h3-4,13-17H,5-12H2,1-2H3,(H,34,35);3-7H,1-2H3.

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

4-chloro-5,7-difluoro-3-methyl-2-(4-methyl-2-pyridinyl)quinoline;N-(2,5-dimorpholin-4-yl-3-pyridinyl)-5,7-difluoro-3-methyl-2-(4-methyl-2-pyridinyl)quinolin-4-amine has a molecular weight of 837.32 g/mol, XLogP of 9.85, 6 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 4-chloro-5,7-difluoro-3-methyl-2-(4-methyl-2-pyridinyl)quinoline;N-(2,5-dimorpholin-4-yl-3-pyridinyl)-5,7-difluoro-3-methyl-2-(4-methyl-2-pyridinyl)quinolin-4-amine is sourced from PubChem (CID 157054036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).