N-(2-chloro-5-morpholin-4-yl-3-pyridinyl)-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine;4-[3-[(5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)amino]-5-morpholin-4-yl-2-pyridinyl]phenol;(4-hydroxyphenyl)boronic acid

C60H52BClF4N10O6 — CID 159291146

About N-(2-chloro-5-morpholin-4-yl-3-pyridinyl)-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine;4-[3-[(5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)amino]-5-morpholin-4-yl-2-pyridinyl]phenol;(4-hydroxyphenyl)boronic acid

N-(2-chloro-5-morpholin-4-yl-3-pyridinyl)-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine;4-[3-[(5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)amino]-5-morpholin-4-yl-2-pyridinyl]phenol;(4-hydroxyphenyl)boronic acid (PubChem CID 159291146) has the molecular formula C60H52BClF4N10O6 and a molecular weight of 1131.40 g/mol. Its IUPAC name is N-(2-chloro-5-morpholin-4-yl-3-pyridinyl)-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine;4-[3-[(5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)amino]-5-morpholin-4-yl-2-pyridinyl]phenol;(4-hydroxyphenyl)boronic acid.

Molecular Properties

• Compound Name: N-(2-chloro-5-morpholin-4-yl-3-pyridinyl)-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine;4-[3-[(5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)amino]-5-morpholin-4-yl-2-pyridinyl]phenol;(4-hydroxyphenyl)boronic acid
• PubChem CID: 159291146
• Molecular Formula: C60H52BClF4N10O6
• Molecular Weight: 1131.40 g/mol
• Exact Mass: 1130.38
• IUPAC Name: N-(2-chloro-5-morpholin-4-yl-3-pyridinyl)-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine;4-[3-[(5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)amino]-5-morpholin-4-yl-2-pyridinyl]phenol;(4-hydroxyphenyl)boronic acid
• SMILES: Cc1c(-c2ccccn2)nc2cc(F)cc(F)c2c1Nc1cc(N2CCOCC2)cnc1-c1ccc(O)cc1.Cc1c(-c2ccccn2)nc2cc(F)cc(F)c2c1Nc1cc(N2CCOCC2)cnc1Cl.OB(O)c1ccc(O)cc1
• InChI: InChI=1S/C30H25F2N5O2.C24H20ClF2N5O.C6H7BO3/c1-18-28(24-4-2-3-9-33-24)35-25-15-20(31)14-23(32)27(25)29(18)36-26-16-21(37-10-12-39-13-11-37)17-34-30(26)19-5-7-22(38)8-6-19;1-14-22(18-4-2-3-5-28-18)30-19-11-15(26)10-17(27)21(19)23(14)31-20-12-16(13-29-24(20)25)32-6-8-33-9-7-32;8-6-3-1-5(2-4-6)7(9)10/h2-9,14-17,38H,10-13H2,1H3,(H,35,36);2-5,10-13H,6-9H2,1H3,(H,30,31);1-4,8-10H
• InChIKey: LADFXYRDFCRQBD-UHFFFAOYSA-N
• XLogP: 10.82
• TPSA: 207.26 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 16
• Rotatable Bonds: 10
• Heavy Atoms: 82
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1131.40
LogP ≤ 5	10.82
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

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

The IUPAC name of N-(2-chloro-5-morpholin-4-yl-3-pyridinyl)-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine;4-[3-[(5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)amino]-5-morpholin-4-yl-2-pyridinyl]phenol;(4-hydroxyphenyl)boronic acid (CID 159291146) is N-(2-chloro-5-morpholin-4-yl-3-pyridinyl)-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine;4-[3-[(5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)amino]-5-morpholin-4-yl-2-pyridinyl]phenol;(4-hydroxyphenyl)boronic acid.

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

The canonical SMILES for N-(2-chloro-5-morpholin-4-yl-3-pyridinyl)-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine;4-[3-[(5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)amino]-5-morpholin-4-yl-2-pyridinyl]phenol;(4-hydroxyphenyl)boronic acid is Cc1c(-c2ccccn2)nc2cc(F)cc(F)c2c1Nc1cc(N2CCOCC2)cnc1-c1ccc(O)cc1.Cc1c(-c2ccccn2)nc2cc(F)cc(F)c2c1Nc1cc(N2CCOCC2)cnc1Cl.OB(O)c1ccc(O)cc1.

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

The InChIKey is LADFXYRDFCRQBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H25F2N5O2.C24H20ClF2N5O.C6H7BO3/c1-18-28(24-4-2-3-9-33-24)35-25-15-20(31)14-23(32)27(25)29(18)36-26-16-21(37-10-12-39-13-11-37)17-34-30(26)19-5-7-22(38)8-6-19;1-14-22(18-4-2-3-5-28-18)30-19-11-15(26)10-17(27)21(19)23(14)31-20-12-16(13-29-24(20)25)32-6-8-33-9-7-32;8-6-3-1-5(2-4-6)7(9)10/h2-9,14-17,38H,10-13H2,1H3,(H,35,36);2-5,10-13H,6-9H2,1H3,(H,30,31);1-4,8-10H.

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

N-(2-chloro-5-morpholin-4-yl-3-pyridinyl)-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine;4-[3-[(5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)amino]-5-morpholin-4-yl-2-pyridinyl]phenol;(4-hydroxyphenyl)boronic acid has a molecular weight of 1131.40 g/mol, XLogP of 10.82, 10 rotatable bonds, 6 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-chloro-5-morpholin-4-yl-3-pyridinyl)-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine;4-[3-[(5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)amino]-5-morpholin-4-yl-2-pyridinyl]phenol;(4-hydroxyphenyl)boronic acid is sourced from PubChem (CID 159291146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).