1-bromo-3-fluoropropane;carbanide;6-(4-cyclopropylimidazol-1-yl)-7-(3-fluoropropoxy)-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]quinazolin-4-one;6-(4-cyclopropylimidazol-1-yl)-7-hydroxy-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]quinazolin-4-one;tungsten

C56H61BrF2N16O4W2-2 — CID 158147914

About 1-bromo-3-fluoropropane;carbanide;6-(4-cyclopropylimidazol-1-yl)-7-(3-fluoropropoxy)-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]quinazolin-4-one;6-(4-cyclopropylimidazol-1-yl)-7-hydroxy-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]quinazolin-4-one;tungsten

1-bromo-3-fluoropropane;carbanide;6-(4-cyclopropylimidazol-1-yl)-7-(3-fluoropropoxy)-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]quinazolin-4-one;6-(4-cyclopropylimidazol-1-yl)-7-hydroxy-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]quinazolin-4-one;tungsten (PubChem CID 158147914) has the molecular formula C56H61BrF2N16O4W2-2 and a molecular weight of 1507.79 g/mol. Its IUPAC name is 1-bromo-3-fluoropropane;carbanide;6-(4-cyclopropylimidazol-1-yl)-7-(3-fluoropropoxy)-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]quinazolin-4-one;6-(4-cyclopropylimidazol-1-yl)-7-hydroxy-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]quinazolin-4-one;tungsten.

Molecular Properties

• Compound Name: 1-bromo-3-fluoropropane;carbanide;6-(4-cyclopropylimidazol-1-yl)-7-(3-fluoropropoxy)-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]quinazolin-4-one;6-(4-cyclopropylimidazol-1-yl)-7-hydroxy-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]quinazolin-4-one;tungsten
• PubChem CID: 158147914
• Molecular Formula: C56H61BrF2N16O4W2-2
• Molecular Weight: 1507.79 g/mol
• Exact Mass: 1506.32
• IUPAC Name: 1-bromo-3-fluoropropane;carbanide;6-(4-cyclopropylimidazol-1-yl)-7-(3-fluoropropoxy)-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]quinazolin-4-one;6-(4-cyclopropylimidazol-1-yl)-7-hydroxy-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]quinazolin-4-one;tungsten
• SMILES: CC(C)n1cnnc1-c1cccc(-n2cnc3cc(O)c(-n4cnc(C5CC5)c4)cc3c2=O)n1.CC(C)n1cnnc1-c1cccc(-n2cnc3cc(OCCCF)c(-n4cnc(C5CC5)c4)cc3c2=O)n1.FCCCBr.[CH3-].[CH3-].[W].[W]
• InChI: InChI=1S/C27H27FN8O2.C24H22N8O2.C3H6BrF.2CH3.2W/c1-17(2)35-16-31-33-26(35)20-5-3-6-25(32-20)36-15-30-21-12-24(38-10-4-9-28)23(11-19(21)27(36)37)34-13-22(29-14-34)18-7-8-18;1-14(2)31-13-27-29-23(31)17-4-3-5-22(28-17)32-12-26-18-9-21(33)20(8-16(18)24(32)34)30-10-19(25-11-30)15-6-7-15;4-2-1-3-5;;;;/h3,5-6,11-18H,4,7-10H2,1-2H3;3-5,8-15,33H,6-7H2,1-2H3;1-3H2;2*1H3;;/q;;;2*-1
• InChIKey: VZQSNTCZLZVMSO-UHFFFAOYSA-N
• XLogP: 10.45
• TPSA: 222.08 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 20
• Rotatable Bonds: 16
• Heavy Atoms: 81
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1507.79
LogP ≤ 5	10.45
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-bromo-3-fluoropropane;carbanide;6-(4-cyclopropylimidazol-1-yl)-7-(3-fluoropropoxy)-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]quinazolin-4-one;6-(4-cyclopropylimidazol-1-yl)-7-hydroxy-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]quinazolin-4-one;tungsten?

The IUPAC name of 1-bromo-3-fluoropropane;carbanide;6-(4-cyclopropylimidazol-1-yl)-7-(3-fluoropropoxy)-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]quinazolin-4-one;6-(4-cyclopropylimidazol-1-yl)-7-hydroxy-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]quinazolin-4-one;tungsten (CID 158147914) is 1-bromo-3-fluoropropane;carbanide;6-(4-cyclopropylimidazol-1-yl)-7-(3-fluoropropoxy)-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]quinazolin-4-one;6-(4-cyclopropylimidazol-1-yl)-7-hydroxy-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]quinazolin-4-one;tungsten.

What is the SMILES notation for 1-bromo-3-fluoropropane;carbanide;6-(4-cyclopropylimidazol-1-yl)-7-(3-fluoropropoxy)-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]quinazolin-4-one;6-(4-cyclopropylimidazol-1-yl)-7-hydroxy-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]quinazolin-4-one;tungsten?

The canonical SMILES for 1-bromo-3-fluoropropane;carbanide;6-(4-cyclopropylimidazol-1-yl)-7-(3-fluoropropoxy)-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]quinazolin-4-one;6-(4-cyclopropylimidazol-1-yl)-7-hydroxy-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]quinazolin-4-one;tungsten is CC(C)n1cnnc1-c1cccc(-n2cnc3cc(O)c(-n4cnc(C5CC5)c4)cc3c2=O)n1.CC(C)n1cnnc1-c1cccc(-n2cnc3cc(OCCCF)c(-n4cnc(C5CC5)c4)cc3c2=O)n1.FCCCBr.[CH3-].[CH3-].[W].[W].

What is the InChIKey of 1-bromo-3-fluoropropane;carbanide;6-(4-cyclopropylimidazol-1-yl)-7-(3-fluoropropoxy)-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]quinazolin-4-one;6-(4-cyclopropylimidazol-1-yl)-7-hydroxy-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]quinazolin-4-one;tungsten?

The InChIKey is VZQSNTCZLZVMSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27FN8O2.C24H22N8O2.C3H6BrF.2CH3.2W/c1-17(2)35-16-31-33-26(35)20-5-3-6-25(32-20)36-15-30-21-12-24(38-10-4-9-28)23(11-19(21)27(36)37)34-13-22(29-14-34)18-7-8-18;1-14(2)31-13-27-29-23(31)17-4-3-5-22(28-17)32-12-26-18-9-21(33)20(8-16(18)24(32)34)30-10-19(25-11-30)15-6-7-15;4-2-1-3-5;;;;/h3,5-6,11-18H,4,7-10H2,1-2H3;3-5,8-15,33H,6-7H2,1-2H3;1-3H2;2*1H3;;/q;;;2*-1;;.

What are the key properties of 1-bromo-3-fluoropropane;carbanide;6-(4-cyclopropylimidazol-1-yl)-7-(3-fluoropropoxy)-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]quinazolin-4-one;6-(4-cyclopropylimidazol-1-yl)-7-hydroxy-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]quinazolin-4-one;tungsten?

1-bromo-3-fluoropropane;carbanide;6-(4-cyclopropylimidazol-1-yl)-7-(3-fluoropropoxy)-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]quinazolin-4-one;6-(4-cyclopropylimidazol-1-yl)-7-hydroxy-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]quinazolin-4-one;tungsten has a molecular weight of 1507.79 g/mol, XLogP of 10.45, 16 rotatable bonds, 1 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 1-bromo-3-fluoropropane;carbanide;6-(4-cyclopropylimidazol-1-yl)-7-(3-fluoropropoxy)-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]quinazolin-4-one;6-(4-cyclopropylimidazol-1-yl)-7-hydroxy-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]quinazolin-4-one;tungsten is sourced from PubChem (CID 158147914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).