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

C56H56BrF4N11O3 — CID 158454879

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

N-[5-bromo-2-(2,2-dimethylmorpholin-4-yl)-3-pyridinyl]-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine;N-[2-(2,2-dimethylmorpholin-4-yl)-5-morpholin-4-yl-3-pyridinyl]-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine (PubChem CID 158454879) has the molecular formula C56H56BrF4N11O3 and a molecular weight of 1087.03 g/mol. Its IUPAC name is N-[5-bromo-2-(2,2-dimethylmorpholin-4-yl)-3-pyridinyl]-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine;N-[2-(2,2-dimethylmorpholin-4-yl)-5-morpholin-4-yl-3-pyridinyl]-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine.

Molecular Properties

• Compound Name: N-[5-bromo-2-(2,2-dimethylmorpholin-4-yl)-3-pyridinyl]-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine;N-[2-(2,2-dimethylmorpholin-4-yl)-5-morpholin-4-yl-3-pyridinyl]-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine
• PubChem CID: 158454879
• Molecular Formula: C56H56BrF4N11O3
• Molecular Weight: 1087.03 g/mol
• Exact Mass: 1085.37
• IUPAC Name: N-[5-bromo-2-(2,2-dimethylmorpholin-4-yl)-3-pyridinyl]-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine;N-[2-(2,2-dimethylmorpholin-4-yl)-5-morpholin-4-yl-3-pyridinyl]-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine
• SMILES: Cc1c(-c2ccccn2)nc2cc(F)cc(F)c2c1Nc1cc(Br)cnc1N1CCOC(C)(C)C1.Cc1c(-c2ccccn2)nc2cc(F)cc(F)c2c1Nc1cc(N2CCOCC2)cnc1N1CCOC(C)(C)C1
• InChI: InChI=1S/C30H32F2N6O2.C26H24BrF2N5O/c1-19-27(23-6-4-5-7-33-23)35-24-15-20(31)14-22(32)26(24)28(19)36-25-16-21(37-8-11-39-12-9-37)17-34-29(25)38-10-13-40-30(2,3)18-38;1-15-23(19-6-4-5-7-30-19)32-20-12-17(28)11-18(29)22(20)24(15)33-21-10-16(27)13-31-25(21)34-8-9-35-26(2,3)14-34/h4-7,14-17H,8-13,18H2,1-3H3,(H,35,36);4-7,10-13H,8-9,14H2,1-3H3,(H,32,33)
• InChIKey: HELHHMNMABEFBL-UHFFFAOYSA-N
• XLogP: 11.87
• TPSA: 138.81 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 14
• Rotatable Bonds: 9
• Heavy Atoms: 75
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1087.03
LogP ≤ 5	11.87
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	14

Frequently Asked Questions

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

The IUPAC name of N-[5-bromo-2-(2,2-dimethylmorpholin-4-yl)-3-pyridinyl]-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine;N-[2-(2,2-dimethylmorpholin-4-yl)-5-morpholin-4-yl-3-pyridinyl]-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine (CID 158454879) is N-[5-bromo-2-(2,2-dimethylmorpholin-4-yl)-3-pyridinyl]-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine;N-[2-(2,2-dimethylmorpholin-4-yl)-5-morpholin-4-yl-3-pyridinyl]-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine.

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

The canonical SMILES for N-[5-bromo-2-(2,2-dimethylmorpholin-4-yl)-3-pyridinyl]-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine;N-[2-(2,2-dimethylmorpholin-4-yl)-5-morpholin-4-yl-3-pyridinyl]-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine is Cc1c(-c2ccccn2)nc2cc(F)cc(F)c2c1Nc1cc(Br)cnc1N1CCOC(C)(C)C1.Cc1c(-c2ccccn2)nc2cc(F)cc(F)c2c1Nc1cc(N2CCOCC2)cnc1N1CCOC(C)(C)C1.

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

The InChIKey is HELHHMNMABEFBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32F2N6O2.C26H24BrF2N5O/c1-19-27(23-6-4-5-7-33-23)35-24-15-20(31)14-22(32)26(24)28(19)36-25-16-21(37-8-11-39-12-9-37)17-34-29(25)38-10-13-40-30(2,3)18-38;1-15-23(19-6-4-5-7-30-19)32-20-12-17(28)11-18(29)22(20)24(15)33-21-10-16(27)13-31-25(21)34-8-9-35-26(2,3)14-34/h4-7,14-17H,8-13,18H2,1-3H3,(H,35,36);4-7,10-13H,8-9,14H2,1-3H3,(H,32,33).

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

N-[5-bromo-2-(2,2-dimethylmorpholin-4-yl)-3-pyridinyl]-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine;N-[2-(2,2-dimethylmorpholin-4-yl)-5-morpholin-4-yl-3-pyridinyl]-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine has a molecular weight of 1087.03 g/mol, XLogP of 11.87, 9 rotatable bonds, 2 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-bromo-2-(2,2-dimethylmorpholin-4-yl)-3-pyridinyl]-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine;N-[2-(2,2-dimethylmorpholin-4-yl)-5-morpholin-4-yl-3-pyridinyl]-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine is sourced from PubChem (CID 158454879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).