N-(5-bromo-2-morpholin-4-yl-4-pyridinyl)-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine;(4-cyanophenyl)boronic acid;4-[4-[(5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)amino]-6-morpholin-4-yl-3-pyridinyl]benzonitrile

C62H50BBrF4N12O4 — CID 158329284

About N-(5-bromo-2-morpholin-4-yl-4-pyridinyl)-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine;(4-cyanophenyl)boronic acid;4-[4-[(5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)amino]-6-morpholin-4-yl-3-pyridinyl]benzonitrile

N-(5-bromo-2-morpholin-4-yl-4-pyridinyl)-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine;(4-cyanophenyl)boronic acid;4-[4-[(5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)amino]-6-morpholin-4-yl-3-pyridinyl]benzonitrile (PubChem CID 158329284) has the molecular formula C62H50BBrF4N12O4 and a molecular weight of 1193.87 g/mol. Its IUPAC name is N-(5-bromo-2-morpholin-4-yl-4-pyridinyl)-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine;(4-cyanophenyl)boronic acid;4-[4-[(5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)amino]-6-morpholin-4-yl-3-pyridinyl]benzonitrile.

Molecular Properties

• Compound Name: N-(5-bromo-2-morpholin-4-yl-4-pyridinyl)-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine;(4-cyanophenyl)boronic acid;4-[4-[(5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)amino]-6-morpholin-4-yl-3-pyridinyl]benzonitrile
• PubChem CID: 158329284
• Molecular Formula: C62H50BBrF4N12O4
• Molecular Weight: 1193.87 g/mol
• Exact Mass: 1192.33
• IUPAC Name: N-(5-bromo-2-morpholin-4-yl-4-pyridinyl)-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine;(4-cyanophenyl)boronic acid;4-[4-[(5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)amino]-6-morpholin-4-yl-3-pyridinyl]benzonitrile
• SMILES: Cc1c(-c2ccccn2)nc2cc(F)cc(F)c2c1Nc1cc(N2CCOCC2)ncc1-c1ccc(C#N)cc1.Cc1c(-c2ccccn2)nc2cc(F)cc(F)c2c1Nc1cc(N2CCOCC2)ncc1Br.N#Cc1ccc(B(O)O)cc1
• InChI: InChI=1S/C31H24F2N6O.C24H20BrF2N5O.C7H6BNO2/c1-19-30(25-4-2-3-9-35-25)38-27-15-22(32)14-24(33)29(27)31(19)37-26-16-28(39-10-12-40-13-11-39)36-18-23(26)21-7-5-20(17-34)6-8-21;1-14-23(18-4-2-3-5-28-18)31-20-11-15(26)10-17(27)22(20)24(14)30-19-12-21(29-13-16(19)25)32-6-8-33-9-7-32;9-5-6-1-3-7(4-2-6)8(10)11/h2-9,14-16,18H,10-13H2,1H3,(H,36,37,38);2-5,10-13H,6-9H2,1H3,(H,29,30,31);1-4,10-11H
• InChIKey: GPUOBRSCOSMXML-UHFFFAOYSA-N
• XLogP: 11.26
• TPSA: 214.38 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 16
• Rotatable Bonds: 10
• Heavy Atoms: 84
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1193.87
LogP ≤ 5	11.26
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-morpholin-4-yl-4-pyridinyl)-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine;(4-cyanophenyl)boronic acid;4-[4-[(5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)amino]-6-morpholin-4-yl-3-pyridinyl]benzonitrile?

The IUPAC name of N-(5-bromo-2-morpholin-4-yl-4-pyridinyl)-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine;(4-cyanophenyl)boronic acid;4-[4-[(5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)amino]-6-morpholin-4-yl-3-pyridinyl]benzonitrile (CID 158329284) is N-(5-bromo-2-morpholin-4-yl-4-pyridinyl)-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine;(4-cyanophenyl)boronic acid;4-[4-[(5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)amino]-6-morpholin-4-yl-3-pyridinyl]benzonitrile.

What is the SMILES notation for N-(5-bromo-2-morpholin-4-yl-4-pyridinyl)-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine;(4-cyanophenyl)boronic acid;4-[4-[(5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)amino]-6-morpholin-4-yl-3-pyridinyl]benzonitrile?

The canonical SMILES for N-(5-bromo-2-morpholin-4-yl-4-pyridinyl)-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine;(4-cyanophenyl)boronic acid;4-[4-[(5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)amino]-6-morpholin-4-yl-3-pyridinyl]benzonitrile is Cc1c(-c2ccccn2)nc2cc(F)cc(F)c2c1Nc1cc(N2CCOCC2)ncc1-c1ccc(C#N)cc1.Cc1c(-c2ccccn2)nc2cc(F)cc(F)c2c1Nc1cc(N2CCOCC2)ncc1Br.N#Cc1ccc(B(O)O)cc1.

What is the InChIKey of N-(5-bromo-2-morpholin-4-yl-4-pyridinyl)-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine;(4-cyanophenyl)boronic acid;4-[4-[(5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)amino]-6-morpholin-4-yl-3-pyridinyl]benzonitrile?

The InChIKey is GPUOBRSCOSMXML-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H24F2N6O.C24H20BrF2N5O.C7H6BNO2/c1-19-30(25-4-2-3-9-35-25)38-27-15-22(32)14-24(33)29(27)31(19)37-26-16-28(39-10-12-40-13-11-39)36-18-23(26)21-7-5-20(17-34)6-8-21;1-14-23(18-4-2-3-5-28-18)31-20-11-15(26)10-17(27)22(20)24(14)30-19-12-21(29-13-16(19)25)32-6-8-33-9-7-32;9-5-6-1-3-7(4-2-6)8(10)11/h2-9,14-16,18H,10-13H2,1H3,(H,36,37,38);2-5,10-13H,6-9H2,1H3,(H,29,30,31);1-4,10-11H.

What are the key properties of N-(5-bromo-2-morpholin-4-yl-4-pyridinyl)-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine;(4-cyanophenyl)boronic acid;4-[4-[(5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)amino]-6-morpholin-4-yl-3-pyridinyl]benzonitrile?

N-(5-bromo-2-morpholin-4-yl-4-pyridinyl)-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine;(4-cyanophenyl)boronic acid;4-[4-[(5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)amino]-6-morpholin-4-yl-3-pyridinyl]benzonitrile has a molecular weight of 1193.87 g/mol, XLogP of 11.26, 10 rotatable bonds, 4 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for N-(5-bromo-2-morpholin-4-yl-4-pyridinyl)-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine;(4-cyanophenyl)boronic acid;4-[4-[(5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)amino]-6-morpholin-4-yl-3-pyridinyl]benzonitrile is sourced from PubChem (CID 158329284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).