8-[6-(5-fluoro-6-methoxy-3-pyridinyl)-4-methylquinazolin-8-yl]oxy-N-hydroxyoctanamide

C23H27FN4O4 — CID 155512340

IUPAC8-[6-(5-fluoro-6-methoxy-3-pyridinyl)-4-methylquinazolin-8-yl]oxy-N-hydroxyoctanamide
SMILESCOc1ncc(-c2cc(OCCCCCCCC(=O)NO)c3ncnc(C)c3c2)cc1F
InChIInChI=1S/C23H27FN4O4/c1-15-18-10-16(17-11-19(24)23(31-2)25-13-17)12-20(22(18)27-14-26-15)32-9-7-5-3-4-6-8-21(29)28-30/h10-14,30H,3-9H2,1-2H3,(H,28,29)
InChIKeyAIXJRQWFLUPULB-UHFFFAOYSA-N
MW442.49 g/mol
LogP4.37
Rot. Bonds11

About 8-[6-(5-fluoro-6-methoxy-3-pyridinyl)-4-methylquinazolin-8-yl]oxy-N-hydroxyoctanamide

8-[6-(5-fluoro-6-methoxy-3-pyridinyl)-4-methylquinazolin-8-yl]oxy-N-hydroxyoctanamide (PubChem CID 155512340) has the molecular formula C23H27FN4O4 and a molecular weight of 442.49 g/mol. Its IUPAC name is 8-[6-(5-fluoro-6-methoxy-3-pyridinyl)-4-methylquinazolin-8-yl]oxy-N-hydroxyoctanamide.

Molecular Properties

Compound Name8-[6-(5-fluoro-6-methoxy-3-pyridinyl)-4-methylquinazolin-8-yl]oxy-N-hydroxyoctanamide
PubChem CID155512340
Molecular FormulaC23H27FN4O4
Molecular Weight442.49 g/mol
Exact Mass442.20
IUPAC Name8-[6-(5-fluoro-6-methoxy-3-pyridinyl)-4-methylquinazolin-8-yl]oxy-N-hydroxyoctanamide
SMILESCOc1ncc(-c2cc(OCCCCCCCC(=O)NO)c3ncnc(C)c3c2)cc1F
InChIInChI=1S/C23H27FN4O4/c1-15-18-10-16(17-11-19(24)23(31-2)25-13-17)12-20(22(18)27-14-26-15)32-9-7-5-3-4-6-8-21(29)28-30/h10-14,30H,3-9H2,1-2H3,(H,28,29)
InChIKeyAIXJRQWFLUPULB-UHFFFAOYSA-N
XLogP4.37
TPSA106.46 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.49
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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'}

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Frequently Asked Questions

What is the IUPAC name of 8-[6-(5-fluoro-6-methoxy-3-pyridinyl)-4-methylquinazolin-8-yl]oxy-N-hydroxyoctanamide?
The IUPAC name of 8-[6-(5-fluoro-6-methoxy-3-pyridinyl)-4-methylquinazolin-8-yl]oxy-N-hydroxyoctanamide (CID 155512340) is 8-[6-(5-fluoro-6-methoxy-3-pyridinyl)-4-methylquinazolin-8-yl]oxy-N-hydroxyoctanamide.
What is the SMILES notation for 8-[6-(5-fluoro-6-methoxy-3-pyridinyl)-4-methylquinazolin-8-yl]oxy-N-hydroxyoctanamide?
The canonical SMILES for 8-[6-(5-fluoro-6-methoxy-3-pyridinyl)-4-methylquinazolin-8-yl]oxy-N-hydroxyoctanamide is COc1ncc(-c2cc(OCCCCCCCC(=O)NO)c3ncnc(C)c3c2)cc1F.
What is the InChIKey of 8-[6-(5-fluoro-6-methoxy-3-pyridinyl)-4-methylquinazolin-8-yl]oxy-N-hydroxyoctanamide?
The InChIKey is AIXJRQWFLUPULB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27FN4O4/c1-15-18-10-16(17-11-19(24)23(31-2)25-13-17)12-20(22(18)27-14-26-15)32-9-7-5-3-4-6-8-21(29)28-30/h10-14,30H,3-9H2,1-2H3,(H,28,29).
What are the key properties of 8-[6-(5-fluoro-6-methoxy-3-pyridinyl)-4-methylquinazolin-8-yl]oxy-N-hydroxyoctanamide?
8-[6-(5-fluoro-6-methoxy-3-pyridinyl)-4-methylquinazolin-8-yl]oxy-N-hydroxyoctanamide has a molecular weight of 442.49 g/mol, XLogP of 4.37, 11 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[6-(5-fluoro-6-methoxy-3-pyridinyl)-4-methylquinazolin-8-yl]oxy-N-hydroxyoctanamide is sourced from PubChem (CID 155512340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).