4-[3-fluoro-5-[(2-hydrazinylquinolin-6-yl)methoxy]phenyl]oxan-4-ol

C21H22FN3O3 — CID 67091122

IUPAC4-[3-fluoro-5-[(2-hydrazinylquinolin-6-yl)methoxy]phenyl]oxan-4-ol
SMILESNNc1ccc2cc(COc3cc(F)cc(C4(O)CCOCC4)c3)ccc2n1
InChIInChI=1S/C21H22FN3O3/c22-17-10-16(21(26)5-7-27-8-6-21)11-18(12-17)28-13-14-1-3-19-15(9-14)2-4-20(24-19)25-23/h1-4,9-12,26H,5-8,13,23H2,(H,24,25)
InChIKeyBBOMFFLVDYJGIE-UHFFFAOYSA-N
MW383.42 g/mol
LogP3.24
Rot. Bonds5

About 4-[3-fluoro-5-[(2-hydrazinylquinolin-6-yl)methoxy]phenyl]oxan-4-ol

4-[3-fluoro-5-[(2-hydrazinylquinolin-6-yl)methoxy]phenyl]oxan-4-ol (PubChem CID 67091122) has the molecular formula C21H22FN3O3 and a molecular weight of 383.42 g/mol. Its IUPAC name is 4-[3-fluoro-5-[(2-hydrazinylquinolin-6-yl)methoxy]phenyl]oxan-4-ol.

Molecular Properties

Compound Name4-[3-fluoro-5-[(2-hydrazinylquinolin-6-yl)methoxy]phenyl]oxan-4-ol
PubChem CID67091122
Molecular FormulaC21H22FN3O3
Molecular Weight383.42 g/mol
Exact Mass383.16
IUPAC Name4-[3-fluoro-5-[(2-hydrazinylquinolin-6-yl)methoxy]phenyl]oxan-4-ol
SMILESNNc1ccc2cc(COc3cc(F)cc(C4(O)CCOCC4)c3)ccc2n1
InChIInChI=1S/C21H22FN3O3/c22-17-10-16(21(26)5-7-27-8-6-21)11-18(12-17)28-13-14-1-3-19-15(9-14)2-4-20(24-19)25-23/h1-4,9-12,26H,5-8,13,23H2,(H,24,25)
InChIKeyBBOMFFLVDYJGIE-UHFFFAOYSA-N
XLogP3.24
TPSA89.63 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.42
LogP ≤ 53.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', '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 4-[3-fluoro-5-[(2-hydrazinylquinolin-6-yl)methoxy]phenyl]oxan-4-ol?
The IUPAC name of 4-[3-fluoro-5-[(2-hydrazinylquinolin-6-yl)methoxy]phenyl]oxan-4-ol (CID 67091122) is 4-[3-fluoro-5-[(2-hydrazinylquinolin-6-yl)methoxy]phenyl]oxan-4-ol.
What is the SMILES notation for 4-[3-fluoro-5-[(2-hydrazinylquinolin-6-yl)methoxy]phenyl]oxan-4-ol?
The canonical SMILES for 4-[3-fluoro-5-[(2-hydrazinylquinolin-6-yl)methoxy]phenyl]oxan-4-ol is NNc1ccc2cc(COc3cc(F)cc(C4(O)CCOCC4)c3)ccc2n1.
What is the InChIKey of 4-[3-fluoro-5-[(2-hydrazinylquinolin-6-yl)methoxy]phenyl]oxan-4-ol?
The InChIKey is BBOMFFLVDYJGIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN3O3/c22-17-10-16(21(26)5-7-27-8-6-21)11-18(12-17)28-13-14-1-3-19-15(9-14)2-4-20(24-19)25-23/h1-4,9-12,26H,5-8,13,23H2,(H,24,25).
What are the key properties of 4-[3-fluoro-5-[(2-hydrazinylquinolin-6-yl)methoxy]phenyl]oxan-4-ol?
4-[3-fluoro-5-[(2-hydrazinylquinolin-6-yl)methoxy]phenyl]oxan-4-ol has a molecular weight of 383.42 g/mol, XLogP of 3.24, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-fluoro-5-[(2-hydrazinylquinolin-6-yl)methoxy]phenyl]oxan-4-ol is sourced from PubChem (CID 67091122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).