4-chloro-6-morpholin-4-ylpyridin-2-amine;N-(4-chloro-6-morpholin-4-yl-2-pyridinyl)-5,7-difluoro-3-methyl-2-(4-methyl-2-pyridinyl)quinolin-4-amine

C34H34Cl2F2N8O2 — CID 157064929

About 4-chloro-6-morpholin-4-ylpyridin-2-amine;N-(4-chloro-6-morpholin-4-yl-2-pyridinyl)-5,7-difluoro-3-methyl-2-(4-methyl-2-pyridinyl)quinolin-4-amine

4-chloro-6-morpholin-4-ylpyridin-2-amine;N-(4-chloro-6-morpholin-4-yl-2-pyridinyl)-5,7-difluoro-3-methyl-2-(4-methyl-2-pyridinyl)quinolin-4-amine (PubChem CID 157064929) has the molecular formula C34H34Cl2F2N8O2 and a molecular weight of 695.60 g/mol. Its IUPAC name is 4-chloro-6-morpholin-4-ylpyridin-2-amine;N-(4-chloro-6-morpholin-4-yl-2-pyridinyl)-5,7-difluoro-3-methyl-2-(4-methyl-2-pyridinyl)quinolin-4-amine.

Molecular Properties

• Compound Name: 4-chloro-6-morpholin-4-ylpyridin-2-amine;N-(4-chloro-6-morpholin-4-yl-2-pyridinyl)-5,7-difluoro-3-methyl-2-(4-methyl-2-pyridinyl)quinolin-4-amine
• PubChem CID: 157064929
• Molecular Formula: C34H34Cl2F2N8O2
• Molecular Weight: 695.60 g/mol
• Exact Mass: 694.21
• IUPAC Name: 4-chloro-6-morpholin-4-ylpyridin-2-amine;N-(4-chloro-6-morpholin-4-yl-2-pyridinyl)-5,7-difluoro-3-methyl-2-(4-methyl-2-pyridinyl)quinolin-4-amine
• SMILES: Cc1ccnc(-c2nc3cc(F)cc(F)c3c(Nc3cc(Cl)cc(N4CCOCC4)n3)c2C)c1.Nc1cc(Cl)cc(N2CCOCC2)n1
• InChI: InChI=1S/C25H22ClF2N5O.C9H12ClN3O/c1-14-3-4-29-20(9-14)24-15(2)25(23-18(28)12-17(27)13-19(23)30-24)32-21-10-16(26)11-22(31-21)33-5-7-34-8-6-33;10-7-5-8(11)12-9(6-7)13-1-3-14-4-2-13/h3-4,9-13H,5-8H2,1-2H3,(H,30,31,32);5-6H,1-4H2,(H2,11,12)
• InChIKey: ABTMRNAWTPJMAP-UHFFFAOYSA-N
• XLogP: 6.97
• TPSA: 114.55 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 5
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	695.60
LogP ≤ 5	6.97
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-morpholin-4-ylpyridin-2-amine;N-(4-chloro-6-morpholin-4-yl-2-pyridinyl)-5,7-difluoro-3-methyl-2-(4-methyl-2-pyridinyl)quinolin-4-amine?

The IUPAC name of 4-chloro-6-morpholin-4-ylpyridin-2-amine;N-(4-chloro-6-morpholin-4-yl-2-pyridinyl)-5,7-difluoro-3-methyl-2-(4-methyl-2-pyridinyl)quinolin-4-amine (CID 157064929) is 4-chloro-6-morpholin-4-ylpyridin-2-amine;N-(4-chloro-6-morpholin-4-yl-2-pyridinyl)-5,7-difluoro-3-methyl-2-(4-methyl-2-pyridinyl)quinolin-4-amine.

What is the SMILES notation for 4-chloro-6-morpholin-4-ylpyridin-2-amine;N-(4-chloro-6-morpholin-4-yl-2-pyridinyl)-5,7-difluoro-3-methyl-2-(4-methyl-2-pyridinyl)quinolin-4-amine?

The canonical SMILES for 4-chloro-6-morpholin-4-ylpyridin-2-amine;N-(4-chloro-6-morpholin-4-yl-2-pyridinyl)-5,7-difluoro-3-methyl-2-(4-methyl-2-pyridinyl)quinolin-4-amine is Cc1ccnc(-c2nc3cc(F)cc(F)c3c(Nc3cc(Cl)cc(N4CCOCC4)n3)c2C)c1.Nc1cc(Cl)cc(N2CCOCC2)n1.

What is the InChIKey of 4-chloro-6-morpholin-4-ylpyridin-2-amine;N-(4-chloro-6-morpholin-4-yl-2-pyridinyl)-5,7-difluoro-3-methyl-2-(4-methyl-2-pyridinyl)quinolin-4-amine?

The InChIKey is ABTMRNAWTPJMAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22ClF2N5O.C9H12ClN3O/c1-14-3-4-29-20(9-14)24-15(2)25(23-18(28)12-17(27)13-19(23)30-24)32-21-10-16(26)11-22(31-21)33-5-7-34-8-6-33;10-7-5-8(11)12-9(6-7)13-1-3-14-4-2-13/h3-4,9-13H,5-8H2,1-2H3,(H,30,31,32);5-6H,1-4H2,(H2,11,12).

What are the key properties of 4-chloro-6-morpholin-4-ylpyridin-2-amine;N-(4-chloro-6-morpholin-4-yl-2-pyridinyl)-5,7-difluoro-3-methyl-2-(4-methyl-2-pyridinyl)quinolin-4-amine?

4-chloro-6-morpholin-4-ylpyridin-2-amine;N-(4-chloro-6-morpholin-4-yl-2-pyridinyl)-5,7-difluoro-3-methyl-2-(4-methyl-2-pyridinyl)quinolin-4-amine has a molecular weight of 695.60 g/mol, XLogP of 6.97, 5 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 4-chloro-6-morpholin-4-ylpyridin-2-amine;N-(4-chloro-6-morpholin-4-yl-2-pyridinyl)-5,7-difluoro-3-methyl-2-(4-methyl-2-pyridinyl)quinolin-4-amine is sourced from PubChem (CID 157064929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).