azanide;3-bromo-N-[2-[7-(2-chloro-3-fluorophenyl)-2,3-dihydrofuro[2,3-c]pyridin-3-id-5-yl]pentyl]-8-methoxyquinoline-6-carboxamide;tungsten(2+)

C29H27BrClFN4O3W — CID 164910711

About azanide;3-bromo-N-[2-[7-(2-chloro-3-fluorophenyl)-2,3-dihydrofuro[2,3-c]pyridin-3-id-5-yl]pentyl]-8-methoxyquinoline-6-carboxamide;tungsten(2+)

azanide;3-bromo-N-[2-[7-(2-chloro-3-fluorophenyl)-2,3-dihydrofuro[2,3-c]pyridin-3-id-5-yl]pentyl]-8-methoxyquinoline-6-carboxamide;tungsten(2+) (PubChem CID 164910711) has the molecular formula C29H27BrClFN4O3W and a molecular weight of 797.75 g/mol. Its IUPAC name is azanide;3-bromo-N-[2-[7-(2-chloro-3-fluorophenyl)-2,3-dihydrofuro[2,3-c]pyridin-3-id-5-yl]pentyl]-8-methoxyquinoline-6-carboxamide;tungsten(2+).

Molecular Properties

• Compound Name: azanide;3-bromo-N-[2-[7-(2-chloro-3-fluorophenyl)-2,3-dihydrofuro[2,3-c]pyridin-3-id-5-yl]pentyl]-8-methoxyquinoline-6-carboxamide;tungsten(2+)
• PubChem CID: 164910711
• Molecular Formula: C29H27BrClFN4O3W
• Molecular Weight: 797.75 g/mol
• Exact Mass: 796.04
• IUPAC Name: azanide;3-bromo-N-[2-[7-(2-chloro-3-fluorophenyl)-2,3-dihydrofuro[2,3-c]pyridin-3-id-5-yl]pentyl]-8-methoxyquinoline-6-carboxamide;tungsten(2+)
• SMILES: CCCC(CNC(=O)c1cc(OC)c2ncc(Br)cc2c1)c1cc2c(c(-c3cccc(F)c3Cl)n1)OC[CH-]2.[NH2-].[W+2]
• InChI: InChI=1S/C29H25BrClFN3O3.H2N.W/c1-3-5-17(14-34-29(36)19-10-18-11-20(30)15-33-26(18)24(13-19)37-2)23-12-16-8-9-38-28(16)27(35-23)21-6-4-7-22(32)25(21)31;;/h4,6-8,10-13,15,17H,3,5,9,14H2,1-2H3,(H,34,36);1H2;/q2*-1;+2
• InChIKey: HIKABBBWAYPNSA-UHFFFAOYSA-N
• XLogP: 7.83
• TPSA: 106.84 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	797.75
LogP ≤ 5	7.83
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of azanide;3-bromo-N-[2-[7-(2-chloro-3-fluorophenyl)-2,3-dihydrofuro[2,3-c]pyridin-3-id-5-yl]pentyl]-8-methoxyquinoline-6-carboxamide;tungsten(2+)?

The IUPAC name of azanide;3-bromo-N-[2-[7-(2-chloro-3-fluorophenyl)-2,3-dihydrofuro[2,3-c]pyridin-3-id-5-yl]pentyl]-8-methoxyquinoline-6-carboxamide;tungsten(2+) (CID 164910711) is azanide;3-bromo-N-[2-[7-(2-chloro-3-fluorophenyl)-2,3-dihydrofuro[2,3-c]pyridin-3-id-5-yl]pentyl]-8-methoxyquinoline-6-carboxamide;tungsten(2+).

What is the SMILES notation for azanide;3-bromo-N-[2-[7-(2-chloro-3-fluorophenyl)-2,3-dihydrofuro[2,3-c]pyridin-3-id-5-yl]pentyl]-8-methoxyquinoline-6-carboxamide;tungsten(2+)?

The canonical SMILES for azanide;3-bromo-N-[2-[7-(2-chloro-3-fluorophenyl)-2,3-dihydrofuro[2,3-c]pyridin-3-id-5-yl]pentyl]-8-methoxyquinoline-6-carboxamide;tungsten(2+) is CCCC(CNC(=O)c1cc(OC)c2ncc(Br)cc2c1)c1cc2c(c(-c3cccc(F)c3Cl)n1)OC[CH-]2.[NH2-].[W+2].

What is the InChIKey of azanide;3-bromo-N-[2-[7-(2-chloro-3-fluorophenyl)-2,3-dihydrofuro[2,3-c]pyridin-3-id-5-yl]pentyl]-8-methoxyquinoline-6-carboxamide;tungsten(2+)?

The InChIKey is HIKABBBWAYPNSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H25BrClFN3O3.H2N.W/c1-3-5-17(14-34-29(36)19-10-18-11-20(30)15-33-26(18)24(13-19)37-2)23-12-16-8-9-38-28(16)27(35-23)21-6-4-7-22(32)25(21)31;;/h4,6-8,10-13,15,17H,3,5,9,14H2,1-2H3,(H,34,36);1H2;/q2*-1;+2.

What are the key properties of azanide;3-bromo-N-[2-[7-(2-chloro-3-fluorophenyl)-2,3-dihydrofuro[2,3-c]pyridin-3-id-5-yl]pentyl]-8-methoxyquinoline-6-carboxamide;tungsten(2+)?

azanide;3-bromo-N-[2-[7-(2-chloro-3-fluorophenyl)-2,3-dihydrofuro[2,3-c]pyridin-3-id-5-yl]pentyl]-8-methoxyquinoline-6-carboxamide;tungsten(2+) has a molecular weight of 797.75 g/mol, XLogP of 7.83, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for azanide;3-bromo-N-[2-[7-(2-chloro-3-fluorophenyl)-2,3-dihydrofuro[2,3-c]pyridin-3-id-5-yl]pentyl]-8-methoxyquinoline-6-carboxamide;tungsten(2+) is sourced from PubChem (CID 164910711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).