N-(5-bromo-2-morpholin-4-yl-4-pyridinyl)-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine;N-[5-(5,5-dimethylcyclopenten-1-yl)-2-morpholin-4-yl-4-pyridinyl]-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine;2-(5,5-dimethylcyclopenten-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

C68H74BBrF4N10O4 — CID 159443950

About N-(5-bromo-2-morpholin-4-yl-4-pyridinyl)-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine;N-[5-(5,5-dimethylcyclopenten-1-yl)-2-morpholin-4-yl-4-pyridinyl]-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine;2-(5,5-dimethylcyclopenten-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

N-(5-bromo-2-morpholin-4-yl-4-pyridinyl)-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine;N-[5-(5,5-dimethylcyclopenten-1-yl)-2-morpholin-4-yl-4-pyridinyl]-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine;2-(5,5-dimethylcyclopenten-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (PubChem CID 159443950) has the molecular formula C68H74BBrF4N10O4 and a molecular weight of 1262.11 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;N-[5-(5,5-dimethylcyclopenten-1-yl)-2-morpholin-4-yl-4-pyridinyl]-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine;2-(5,5-dimethylcyclopenten-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.

Molecular Properties

• Compound Name: N-(5-bromo-2-morpholin-4-yl-4-pyridinyl)-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine;N-[5-(5,5-dimethylcyclopenten-1-yl)-2-morpholin-4-yl-4-pyridinyl]-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine;2-(5,5-dimethylcyclopenten-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
• PubChem CID: 159443950
• Molecular Formula: C68H74BBrF4N10O4
• Molecular Weight: 1262.11 g/mol
• Exact Mass: 1260.51
• IUPAC Name: N-(5-bromo-2-morpholin-4-yl-4-pyridinyl)-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine;N-[5-(5,5-dimethylcyclopenten-1-yl)-2-morpholin-4-yl-4-pyridinyl]-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine;2-(5,5-dimethylcyclopenten-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
• SMILES: CC1(C)CCC=C1B1OC(C)(C)C(C)(C)O1.Cc1c(-c2ccccn2)nc2cc(F)cc(F)c2c1Nc1cc(N2CCOCC2)ncc1Br.Cc1c(-c2ccccn2)nc2cc(F)cc(F)c2c1Nc1cc(N2CCOCC2)ncc1C1=CCCC1(C)C
• InChI: InChI=1S/C31H31F2N5O.C24H20BrF2N5O.C13H23BO2/c1-19-29(24-8-4-5-10-34-24)37-26-16-20(32)15-23(33)28(26)30(19)36-25-17-27(38-11-13-39-14-12-38)35-18-21(25)22-7-6-9-31(22,2)3;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;1-11(2)9-7-8-10(11)14-15-12(3,4)13(5,6)16-14/h4-5,7-8,10,15-18H,6,9,11-14H2,1-3H3,(H,35,36,37);2-5,10-13H,6-9H2,1H3,(H,29,30,31);8H,7,9H2,1-6H3
• InChIKey: LSNGAHLQCLRJFS-UHFFFAOYSA-N
• XLogP: 16.05
• TPSA: 144.80 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 14
• Rotatable Bonds: 10
• Heavy Atoms: 88
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1262.11
LogP ≤ 5	16.05
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	14

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;N-[5-(5,5-dimethylcyclopenten-1-yl)-2-morpholin-4-yl-4-pyridinyl]-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine;2-(5,5-dimethylcyclopenten-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?

The IUPAC name of N-(5-bromo-2-morpholin-4-yl-4-pyridinyl)-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine;N-[5-(5,5-dimethylcyclopenten-1-yl)-2-morpholin-4-yl-4-pyridinyl]-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine;2-(5,5-dimethylcyclopenten-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CID 159443950) is N-(5-bromo-2-morpholin-4-yl-4-pyridinyl)-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine;N-[5-(5,5-dimethylcyclopenten-1-yl)-2-morpholin-4-yl-4-pyridinyl]-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine;2-(5,5-dimethylcyclopenten-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.

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;N-[5-(5,5-dimethylcyclopenten-1-yl)-2-morpholin-4-yl-4-pyridinyl]-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine;2-(5,5-dimethylcyclopenten-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?

The canonical SMILES for N-(5-bromo-2-morpholin-4-yl-4-pyridinyl)-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine;N-[5-(5,5-dimethylcyclopenten-1-yl)-2-morpholin-4-yl-4-pyridinyl]-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine;2-(5,5-dimethylcyclopenten-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is CC1(C)CCC=C1B1OC(C)(C)C(C)(C)O1.Cc1c(-c2ccccn2)nc2cc(F)cc(F)c2c1Nc1cc(N2CCOCC2)ncc1Br.Cc1c(-c2ccccn2)nc2cc(F)cc(F)c2c1Nc1cc(N2CCOCC2)ncc1C1=CCCC1(C)C.

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;N-[5-(5,5-dimethylcyclopenten-1-yl)-2-morpholin-4-yl-4-pyridinyl]-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine;2-(5,5-dimethylcyclopenten-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?

The InChIKey is LSNGAHLQCLRJFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H31F2N5O.C24H20BrF2N5O.C13H23BO2/c1-19-29(24-8-4-5-10-34-24)37-26-16-20(32)15-23(33)28(26)30(19)36-25-17-27(38-11-13-39-14-12-38)35-18-21(25)22-7-6-9-31(22,2)3;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;1-11(2)9-7-8-10(11)14-15-12(3,4)13(5,6)16-14/h4-5,7-8,10,15-18H,6,9,11-14H2,1-3H3,(H,35,36,37);2-5,10-13H,6-9H2,1H3,(H,29,30,31);8H,7,9H2,1-6H3.

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;N-[5-(5,5-dimethylcyclopenten-1-yl)-2-morpholin-4-yl-4-pyridinyl]-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine;2-(5,5-dimethylcyclopenten-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?

N-(5-bromo-2-morpholin-4-yl-4-pyridinyl)-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine;N-[5-(5,5-dimethylcyclopenten-1-yl)-2-morpholin-4-yl-4-pyridinyl]-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine;2-(5,5-dimethylcyclopenten-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane has a molecular weight of 1262.11 g/mol, XLogP of 16.05, 10 rotatable bonds, 2 hydrogen bond donors, and 14 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;N-[5-(5,5-dimethylcyclopenten-1-yl)-2-morpholin-4-yl-4-pyridinyl]-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine;2-(5,5-dimethylcyclopenten-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is sourced from PubChem (CID 159443950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).