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

C54H52BBrF4N10O4 — CID 158209692

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

N-(5-bromo-2-morpholin-4-yl-4-pyridinyl)-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine;cyclopropylboronic acid;N-(5-cyclopropyl-2-morpholin-4-yl-4-pyridinyl)-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine (PubChem CID 158209692) has the molecular formula C54H52BBrF4N10O4 and a molecular weight of 1071.78 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;cyclopropylboronic acid;N-(5-cyclopropyl-2-morpholin-4-yl-4-pyridinyl)-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine.

Molecular Properties

• Compound Name: N-(5-bromo-2-morpholin-4-yl-4-pyridinyl)-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine;cyclopropylboronic acid;N-(5-cyclopropyl-2-morpholin-4-yl-4-pyridinyl)-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine
• PubChem CID: 158209692
• Molecular Formula: C54H52BBrF4N10O4
• Molecular Weight: 1071.78 g/mol
• Exact Mass: 1070.34
• IUPAC Name: N-(5-bromo-2-morpholin-4-yl-4-pyridinyl)-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine;cyclopropylboronic acid;N-(5-cyclopropyl-2-morpholin-4-yl-4-pyridinyl)-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine
• SMILES: Cc1c(-c2ccccn2)nc2cc(F)cc(F)c2c1Nc1cc(N2CCOCC2)ncc1Br.Cc1c(-c2ccccn2)nc2cc(F)cc(F)c2c1Nc1cc(N2CCOCC2)ncc1C1CC1.OB(O)C1CC1
• InChI: InChI=1S/C27H25F2N5O.C24H20BrF2N5O.C3H7BO2/c1-16-26(21-4-2-3-7-30-21)33-23-13-18(28)12-20(29)25(23)27(16)32-22-14-24(34-8-10-35-11-9-34)31-15-19(22)17-5-6-17;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;5-4(6)3-1-2-3/h2-4,7,12-15,17H,5-6,8-11H2,1H3,(H,31,32,33);2-5,10-13H,6-9H2,1H3,(H,29,30,31);3,5-6H,1-2H2
• InChIKey: GBXQIZXQKQXUKB-UHFFFAOYSA-N
• XLogP: 10.98
• TPSA: 166.80 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 14
• Rotatable Bonds: 10
• Heavy Atoms: 74
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1071.78
LogP ≤ 5	10.98
H-Bond Donors ≤ 5	4
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;cyclopropylboronic acid;N-(5-cyclopropyl-2-morpholin-4-yl-4-pyridinyl)-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine?

The IUPAC name of N-(5-bromo-2-morpholin-4-yl-4-pyridinyl)-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine;cyclopropylboronic acid;N-(5-cyclopropyl-2-morpholin-4-yl-4-pyridinyl)-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine (CID 158209692) is N-(5-bromo-2-morpholin-4-yl-4-pyridinyl)-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine;cyclopropylboronic acid;N-(5-cyclopropyl-2-morpholin-4-yl-4-pyridinyl)-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine.

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

The canonical SMILES for N-(5-bromo-2-morpholin-4-yl-4-pyridinyl)-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine;cyclopropylboronic acid;N-(5-cyclopropyl-2-morpholin-4-yl-4-pyridinyl)-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine is Cc1c(-c2ccccn2)nc2cc(F)cc(F)c2c1Nc1cc(N2CCOCC2)ncc1Br.Cc1c(-c2ccccn2)nc2cc(F)cc(F)c2c1Nc1cc(N2CCOCC2)ncc1C1CC1.OB(O)C1CC1.

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

The InChIKey is GBXQIZXQKQXUKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25F2N5O.C24H20BrF2N5O.C3H7BO2/c1-16-26(21-4-2-3-7-30-21)33-23-13-18(28)12-20(29)25(23)27(16)32-22-14-24(34-8-10-35-11-9-34)31-15-19(22)17-5-6-17;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;5-4(6)3-1-2-3/h2-4,7,12-15,17H,5-6,8-11H2,1H3,(H,31,32,33);2-5,10-13H,6-9H2,1H3,(H,29,30,31);3,5-6H,1-2H2.

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

N-(5-bromo-2-morpholin-4-yl-4-pyridinyl)-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine;cyclopropylboronic acid;N-(5-cyclopropyl-2-morpholin-4-yl-4-pyridinyl)-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine has a molecular weight of 1071.78 g/mol, XLogP of 10.98, 10 rotatable bonds, 4 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;cyclopropylboronic acid;N-(5-cyclopropyl-2-morpholin-4-yl-4-pyridinyl)-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine is sourced from PubChem (CID 158209692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).