N-hydroxy-7-[4-[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]quinazolin-6-yl]triazol-1-yl]heptanamide

C30H32N8O3 — CID 134137500

About N-hydroxy-7-[4-[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]quinazolin-6-yl]triazol-1-yl]heptanamide

N-hydroxy-7-[4-[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]quinazolin-6-yl]triazol-1-yl]heptanamide (PubChem CID 134137500) has the molecular formula C30H32N8O3 and a molecular weight of 552.64 g/mol. Its IUPAC name is N-hydroxy-7-[4-[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]quinazolin-6-yl]triazol-1-yl]heptanamide.

Molecular Properties

• Compound Name: N-hydroxy-7-[4-[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]quinazolin-6-yl]triazol-1-yl]heptanamide
• PubChem CID: 134137500
• Molecular Formula: C30H32N8O3
• Molecular Weight: 552.64 g/mol
• Exact Mass: 552.26
• IUPAC Name: N-hydroxy-7-[4-[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]quinazolin-6-yl]triazol-1-yl]heptanamide
• SMILES: Cc1ccc(Oc2ccc(Nc3ncnc4ccc(-c5cn(CCCCCCC(=O)NO)nn5)cc34)cc2C)cn1
• InChI: InChI=1S/C30H32N8O3/c1-20-15-23(10-13-28(20)41-24-11-8-21(2)31-17-24)34-30-25-16-22(9-12-26(25)32-19-33-30)27-18-38(37-35-27)14-6-4-3-5-7-29(39)36-40/h8-13,15-19,40H,3-7,14H2,1-2H3,(H,36,39)(H,32,33,34)
• InChIKey: RZBKGDSTLKCOCW-UHFFFAOYSA-N
• XLogP: 5.89
• TPSA: 139.97 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 10
• Rotatable Bonds: 12
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	552.64
LogP ≤ 5	5.89
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-7-[4-[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]quinazolin-6-yl]triazol-1-yl]heptanamide?

The IUPAC name of N-hydroxy-7-[4-[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]quinazolin-6-yl]triazol-1-yl]heptanamide (CID 134137500) is N-hydroxy-7-[4-[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]quinazolin-6-yl]triazol-1-yl]heptanamide.

What is the SMILES notation for N-hydroxy-7-[4-[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]quinazolin-6-yl]triazol-1-yl]heptanamide?

The canonical SMILES for N-hydroxy-7-[4-[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]quinazolin-6-yl]triazol-1-yl]heptanamide is Cc1ccc(Oc2ccc(Nc3ncnc4ccc(-c5cn(CCCCCCC(=O)NO)nn5)cc34)cc2C)cn1.

What is the InChIKey of N-hydroxy-7-[4-[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]quinazolin-6-yl]triazol-1-yl]heptanamide?

The InChIKey is RZBKGDSTLKCOCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32N8O3/c1-20-15-23(10-13-28(20)41-24-11-8-21(2)31-17-24)34-30-25-16-22(9-12-26(25)32-19-33-30)27-18-38(37-35-27)14-6-4-3-5-7-29(39)36-40/h8-13,15-19,40H,3-7,14H2,1-2H3,(H,36,39)(H,32,33,34).

What are the key properties of N-hydroxy-7-[4-[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]quinazolin-6-yl]triazol-1-yl]heptanamide?

N-hydroxy-7-[4-[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]quinazolin-6-yl]triazol-1-yl]heptanamide has a molecular weight of 552.64 g/mol, XLogP of 5.89, 12 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-hydroxy-7-[4-[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]quinazolin-6-yl]triazol-1-yl]heptanamide is sourced from PubChem (CID 134137500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).