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

C21H23FN4O4 — CID 155531509

IUPAC6-[6-(5-fluoro-6-methoxy-3-pyridinyl)-4-methylquinazolin-8-yl]oxy-N-hydroxyhexanamide
SMILESCOc1ncc(-c2cc(OCCCCCC(=O)NO)c3ncnc(C)c3c2)cc1F
InChIInChI=1S/C21H23FN4O4/c1-13-16-8-14(15-9-17(22)21(29-2)23-11-15)10-18(20(16)25-12-24-13)30-7-5-3-4-6-19(27)26-28/h8-12,28H,3-7H2,1-2H3,(H,26,27)
InChIKeyZTSUJABPDFAIGI-UHFFFAOYSA-N
MW414.44 g/mol
LogP3.59
Rot. Bonds9

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

6-[6-(5-fluoro-6-methoxy-3-pyridinyl)-4-methylquinazolin-8-yl]oxy-N-hydroxyhexanamide (PubChem CID 155531509) has the molecular formula C21H23FN4O4 and a molecular weight of 414.44 g/mol. Its IUPAC name is 6-[6-(5-fluoro-6-methoxy-3-pyridinyl)-4-methylquinazolin-8-yl]oxy-N-hydroxyhexanamide.

Molecular Properties

Compound Name6-[6-(5-fluoro-6-methoxy-3-pyridinyl)-4-methylquinazolin-8-yl]oxy-N-hydroxyhexanamide
PubChem CID155531509
Molecular FormulaC21H23FN4O4
Molecular Weight414.44 g/mol
Exact Mass414.17
IUPAC Name6-[6-(5-fluoro-6-methoxy-3-pyridinyl)-4-methylquinazolin-8-yl]oxy-N-hydroxyhexanamide
SMILESCOc1ncc(-c2cc(OCCCCCC(=O)NO)c3ncnc(C)c3c2)cc1F
InChIInChI=1S/C21H23FN4O4/c1-13-16-8-14(15-9-17(22)21(29-2)23-11-15)10-18(20(16)25-12-24-13)30-7-5-3-4-6-19(27)26-28/h8-12,28H,3-7H2,1-2H3,(H,26,27)
InChIKeyZTSUJABPDFAIGI-UHFFFAOYSA-N
XLogP3.59
TPSA106.46 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.44
LogP ≤ 53.59
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 6-[6-(5-fluoro-6-methoxy-3-pyridinyl)-4-methylquinazolin-8-yl]oxy-N-hydroxyhexanamide?
The IUPAC name of 6-[6-(5-fluoro-6-methoxy-3-pyridinyl)-4-methylquinazolin-8-yl]oxy-N-hydroxyhexanamide (CID 155531509) is 6-[6-(5-fluoro-6-methoxy-3-pyridinyl)-4-methylquinazolin-8-yl]oxy-N-hydroxyhexanamide.
What is the SMILES notation for 6-[6-(5-fluoro-6-methoxy-3-pyridinyl)-4-methylquinazolin-8-yl]oxy-N-hydroxyhexanamide?
The canonical SMILES for 6-[6-(5-fluoro-6-methoxy-3-pyridinyl)-4-methylquinazolin-8-yl]oxy-N-hydroxyhexanamide is COc1ncc(-c2cc(OCCCCCC(=O)NO)c3ncnc(C)c3c2)cc1F.
What is the InChIKey of 6-[6-(5-fluoro-6-methoxy-3-pyridinyl)-4-methylquinazolin-8-yl]oxy-N-hydroxyhexanamide?
The InChIKey is ZTSUJABPDFAIGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN4O4/c1-13-16-8-14(15-9-17(22)21(29-2)23-11-15)10-18(20(16)25-12-24-13)30-7-5-3-4-6-19(27)26-28/h8-12,28H,3-7H2,1-2H3,(H,26,27).
What are the key properties of 6-[6-(5-fluoro-6-methoxy-3-pyridinyl)-4-methylquinazolin-8-yl]oxy-N-hydroxyhexanamide?
6-[6-(5-fluoro-6-methoxy-3-pyridinyl)-4-methylquinazolin-8-yl]oxy-N-hydroxyhexanamide has a molecular weight of 414.44 g/mol, XLogP of 3.59, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[6-(5-fluoro-6-methoxy-3-pyridinyl)-4-methylquinazolin-8-yl]oxy-N-hydroxyhexanamide is sourced from PubChem (CID 155531509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).