N-(5-bromo-2-morpholin-4-yl-4-pyridinyl)-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine;5,7-difluoro-3-methyl-N-(2-morpholin-4-yl-5-pyridin-3-yl-4-pyridinyl)-2-pyridin-2-ylquinolin-4-amine;pyridin-3-ylboronic acid

C58H50BBrF4N12O4 — CID 157397664

About N-(5-bromo-2-morpholin-4-yl-4-pyridinyl)-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine;5,7-difluoro-3-methyl-N-(2-morpholin-4-yl-5-pyridin-3-yl-4-pyridinyl)-2-pyridin-2-ylquinolin-4-amine;pyridin-3-ylboronic acid

N-(5-bromo-2-morpholin-4-yl-4-pyridinyl)-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine;5,7-difluoro-3-methyl-N-(2-morpholin-4-yl-5-pyridin-3-yl-4-pyridinyl)-2-pyridin-2-ylquinolin-4-amine;pyridin-3-ylboronic acid (PubChem CID 157397664) has the molecular formula C58H50BBrF4N12O4 and a molecular weight of 1145.83 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;5,7-difluoro-3-methyl-N-(2-morpholin-4-yl-5-pyridin-3-yl-4-pyridinyl)-2-pyridin-2-ylquinolin-4-amine;pyridin-3-ylboronic acid.

Molecular Properties

• Compound Name: N-(5-bromo-2-morpholin-4-yl-4-pyridinyl)-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine;5,7-difluoro-3-methyl-N-(2-morpholin-4-yl-5-pyridin-3-yl-4-pyridinyl)-2-pyridin-2-ylquinolin-4-amine;pyridin-3-ylboronic acid
• PubChem CID: 157397664
• Molecular Formula: C58H50BBrF4N12O4
• Molecular Weight: 1145.83 g/mol
• Exact Mass: 1144.33
• IUPAC Name: N-(5-bromo-2-morpholin-4-yl-4-pyridinyl)-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine;5,7-difluoro-3-methyl-N-(2-morpholin-4-yl-5-pyridin-3-yl-4-pyridinyl)-2-pyridin-2-ylquinolin-4-amine;pyridin-3-ylboronic acid
• SMILES: Cc1c(-c2ccccn2)nc2cc(F)cc(F)c2c1Nc1cc(N2CCOCC2)ncc1-c1cccnc1.Cc1c(-c2ccccn2)nc2cc(F)cc(F)c2c1Nc1cc(N2CCOCC2)ncc1Br.OB(O)c1cccnc1
• InChI: InChI=1S/C29H24F2N6O.C24H20BrF2N5O.C5H6BNO2/c1-18-28(23-6-2-3-8-33-23)36-25-14-20(30)13-22(31)27(25)29(18)35-24-15-26(37-9-11-38-12-10-37)34-17-21(24)19-5-4-7-32-16-19;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;8-6(9)5-2-1-3-7-4-5/h2-8,13-17H,9-12H2,1H3,(H,34,35,36);2-5,10-13H,6-9H2,1H3,(H,29,30,31);1-4,8-9H
• InChIKey: BMTPAAPZCIMVCU-UHFFFAOYSA-N
• XLogP: 10.30
• TPSA: 192.58 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 16
• Rotatable Bonds: 10
• Heavy Atoms: 80
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1145.83
LogP ≤ 5	10.30
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;5,7-difluoro-3-methyl-N-(2-morpholin-4-yl-5-pyridin-3-yl-4-pyridinyl)-2-pyridin-2-ylquinolin-4-amine;pyridin-3-ylboronic acid?

The IUPAC name of N-(5-bromo-2-morpholin-4-yl-4-pyridinyl)-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine;5,7-difluoro-3-methyl-N-(2-morpholin-4-yl-5-pyridin-3-yl-4-pyridinyl)-2-pyridin-2-ylquinolin-4-amine;pyridin-3-ylboronic acid (CID 157397664) is N-(5-bromo-2-morpholin-4-yl-4-pyridinyl)-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine;5,7-difluoro-3-methyl-N-(2-morpholin-4-yl-5-pyridin-3-yl-4-pyridinyl)-2-pyridin-2-ylquinolin-4-amine;pyridin-3-ylboronic acid.

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;5,7-difluoro-3-methyl-N-(2-morpholin-4-yl-5-pyridin-3-yl-4-pyridinyl)-2-pyridin-2-ylquinolin-4-amine;pyridin-3-ylboronic acid?

The canonical SMILES for N-(5-bromo-2-morpholin-4-yl-4-pyridinyl)-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine;5,7-difluoro-3-methyl-N-(2-morpholin-4-yl-5-pyridin-3-yl-4-pyridinyl)-2-pyridin-2-ylquinolin-4-amine;pyridin-3-ylboronic acid is Cc1c(-c2ccccn2)nc2cc(F)cc(F)c2c1Nc1cc(N2CCOCC2)ncc1-c1cccnc1.Cc1c(-c2ccccn2)nc2cc(F)cc(F)c2c1Nc1cc(N2CCOCC2)ncc1Br.OB(O)c1cccnc1.

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;5,7-difluoro-3-methyl-N-(2-morpholin-4-yl-5-pyridin-3-yl-4-pyridinyl)-2-pyridin-2-ylquinolin-4-amine;pyridin-3-ylboronic acid?

The InChIKey is BMTPAAPZCIMVCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H24F2N6O.C24H20BrF2N5O.C5H6BNO2/c1-18-28(23-6-2-3-8-33-23)36-25-14-20(30)13-22(31)27(25)29(18)35-24-15-26(37-9-11-38-12-10-37)34-17-21(24)19-5-4-7-32-16-19;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;8-6(9)5-2-1-3-7-4-5/h2-8,13-17H,9-12H2,1H3,(H,34,35,36);2-5,10-13H,6-9H2,1H3,(H,29,30,31);1-4,8-9H.

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;5,7-difluoro-3-methyl-N-(2-morpholin-4-yl-5-pyridin-3-yl-4-pyridinyl)-2-pyridin-2-ylquinolin-4-amine;pyridin-3-ylboronic acid?

N-(5-bromo-2-morpholin-4-yl-4-pyridinyl)-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine;5,7-difluoro-3-methyl-N-(2-morpholin-4-yl-5-pyridin-3-yl-4-pyridinyl)-2-pyridin-2-ylquinolin-4-amine;pyridin-3-ylboronic acid has a molecular weight of 1145.83 g/mol, XLogP of 10.30, 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;5,7-difluoro-3-methyl-N-(2-morpholin-4-yl-5-pyridin-3-yl-4-pyridinyl)-2-pyridin-2-ylquinolin-4-amine;pyridin-3-ylboronic acid is sourced from PubChem (CID 157397664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).