N-(2-bromo-4-pyridinyl)-N-(2,2-difluoroethyl)-5-fluoro-2-hydrazinylquinazolin-4-amine;N-(2-bromo-4-pyridinyl)-N-(2,2-difluoroethyl)-6-fluoro-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;diethoxymethoxyethane

C38H38Br2F6N12O3 — CID 167688571

About N-(2-bromo-4-pyridinyl)-N-(2,2-difluoroethyl)-5-fluoro-2-hydrazinylquinazolin-4-amine;N-(2-bromo-4-pyridinyl)-N-(2,2-difluoroethyl)-6-fluoro-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;diethoxymethoxyethane

N-(2-bromo-4-pyridinyl)-N-(2,2-difluoroethyl)-5-fluoro-2-hydrazinylquinazolin-4-amine;N-(2-bromo-4-pyridinyl)-N-(2,2-difluoroethyl)-6-fluoro-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;diethoxymethoxyethane (PubChem CID 167688571) has the molecular formula C38H38Br2F6N12O3 and a molecular weight of 984.60 g/mol. Its IUPAC name is N-(2-bromo-4-pyridinyl)-N-(2,2-difluoroethyl)-5-fluoro-2-hydrazinylquinazolin-4-amine;N-(2-bromo-4-pyridinyl)-N-(2,2-difluoroethyl)-6-fluoro-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;diethoxymethoxyethane.

Molecular Properties

• Compound Name: N-(2-bromo-4-pyridinyl)-N-(2,2-difluoroethyl)-5-fluoro-2-hydrazinylquinazolin-4-amine;N-(2-bromo-4-pyridinyl)-N-(2,2-difluoroethyl)-6-fluoro-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;diethoxymethoxyethane
• PubChem CID: 167688571
• Molecular Formula: C38H38Br2F6N12O3
• Molecular Weight: 984.60 g/mol
• Exact Mass: 982.15
• IUPAC Name: N-(2-bromo-4-pyridinyl)-N-(2,2-difluoroethyl)-5-fluoro-2-hydrazinylquinazolin-4-amine;N-(2-bromo-4-pyridinyl)-N-(2,2-difluoroethyl)-6-fluoro-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;diethoxymethoxyethane
• SMILES: CCOC(OCC)OCC.Fc1cccc2c1c(N(CC(F)F)c1ccnc(Br)c1)nc1nncn12.NNc1nc(N(CC(F)F)c2ccnc(Br)c2)c2c(F)cccc2n1
• InChI: InChI=1S/C16H10BrF3N6.C15H12BrF3N6.C7H16O3/c17-12-6-9(4-5-21-12)25(7-13(19)20)15-14-10(18)2-1-3-11(14)26-8-22-24-16(26)23-15;16-11-6-8(4-5-21-11)25(7-12(18)19)14-13-9(17)2-1-3-10(13)22-15(23-14)24-20;1-4-8-7(9-5-2)10-6-3/h1-6,8,13H,7H2;1-6,12H,7,20H2,(H,22,23,24);7H,4-6H2,1-3H3
• InChIKey: WOVWEDKLOMBKDH-UHFFFAOYSA-N
• XLogP: 8.97
• TPSA: 166.86 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 15
• Rotatable Bonds: 15
• Heavy Atoms: 61
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	984.60
LogP ≤ 5	8.97
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-pyridinyl)-N-(2,2-difluoroethyl)-5-fluoro-2-hydrazinylquinazolin-4-amine;N-(2-bromo-4-pyridinyl)-N-(2,2-difluoroethyl)-6-fluoro-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;diethoxymethoxyethane?

The IUPAC name of N-(2-bromo-4-pyridinyl)-N-(2,2-difluoroethyl)-5-fluoro-2-hydrazinylquinazolin-4-amine;N-(2-bromo-4-pyridinyl)-N-(2,2-difluoroethyl)-6-fluoro-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;diethoxymethoxyethane (CID 167688571) is N-(2-bromo-4-pyridinyl)-N-(2,2-difluoroethyl)-5-fluoro-2-hydrazinylquinazolin-4-amine;N-(2-bromo-4-pyridinyl)-N-(2,2-difluoroethyl)-6-fluoro-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;diethoxymethoxyethane.

What is the SMILES notation for N-(2-bromo-4-pyridinyl)-N-(2,2-difluoroethyl)-5-fluoro-2-hydrazinylquinazolin-4-amine;N-(2-bromo-4-pyridinyl)-N-(2,2-difluoroethyl)-6-fluoro-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;diethoxymethoxyethane?

The canonical SMILES for N-(2-bromo-4-pyridinyl)-N-(2,2-difluoroethyl)-5-fluoro-2-hydrazinylquinazolin-4-amine;N-(2-bromo-4-pyridinyl)-N-(2,2-difluoroethyl)-6-fluoro-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;diethoxymethoxyethane is CCOC(OCC)OCC.Fc1cccc2c1c(N(CC(F)F)c1ccnc(Br)c1)nc1nncn12.NNc1nc(N(CC(F)F)c2ccnc(Br)c2)c2c(F)cccc2n1.

What is the InChIKey of N-(2-bromo-4-pyridinyl)-N-(2,2-difluoroethyl)-5-fluoro-2-hydrazinylquinazolin-4-amine;N-(2-bromo-4-pyridinyl)-N-(2,2-difluoroethyl)-6-fluoro-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;diethoxymethoxyethane?

The InChIKey is WOVWEDKLOMBKDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10BrF3N6.C15H12BrF3N6.C7H16O3/c17-12-6-9(4-5-21-12)25(7-13(19)20)15-14-10(18)2-1-3-11(14)26-8-22-24-16(26)23-15;16-11-6-8(4-5-21-11)25(7-12(18)19)14-13-9(17)2-1-3-10(13)22-15(23-14)24-20;1-4-8-7(9-5-2)10-6-3/h1-6,8,13H,7H2;1-6,12H,7,20H2,(H,22,23,24);7H,4-6H2,1-3H3.

What are the key properties of N-(2-bromo-4-pyridinyl)-N-(2,2-difluoroethyl)-5-fluoro-2-hydrazinylquinazolin-4-amine;N-(2-bromo-4-pyridinyl)-N-(2,2-difluoroethyl)-6-fluoro-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;diethoxymethoxyethane?

N-(2-bromo-4-pyridinyl)-N-(2,2-difluoroethyl)-5-fluoro-2-hydrazinylquinazolin-4-amine;N-(2-bromo-4-pyridinyl)-N-(2,2-difluoroethyl)-6-fluoro-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;diethoxymethoxyethane has a molecular weight of 984.60 g/mol, XLogP of 8.97, 15 rotatable bonds, 2 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-bromo-4-pyridinyl)-N-(2,2-difluoroethyl)-5-fluoro-2-hydrazinylquinazolin-4-amine;N-(2-bromo-4-pyridinyl)-N-(2,2-difluoroethyl)-6-fluoro-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;diethoxymethoxyethane is sourced from PubChem (CID 167688571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).