2-[4-[[(6-fluoroquinazolin-4-yl)amino]methyl]oxan-4-yl]ethanol

C16H20FN3O2 — CID 71983698

IUPAC2-[4-[[(6-fluoroquinazolin-4-yl)amino]methyl]oxan-4-yl]ethanol
SMILESOCCC1(CNc2ncnc3ccc(F)cc23)CCOCC1
InChIInChI=1S/C16H20FN3O2/c17-12-1-2-14-13(9-12)15(20-11-19-14)18-10-16(3-6-21)4-7-22-8-5-16/h1-2,9,11,21H,3-8,10H2,(H,18,19,20)
InChIKeyZLOQDWGQVALMFK-UHFFFAOYSA-N
MW305.35 g/mol
LogP2.36
Rot. Bonds5

About 2-[4-[[(6-fluoroquinazolin-4-yl)amino]methyl]oxan-4-yl]ethanol

2-[4-[[(6-fluoroquinazolin-4-yl)amino]methyl]oxan-4-yl]ethanol (PubChem CID 71983698) has the molecular formula C16H20FN3O2 and a molecular weight of 305.35 g/mol. Its IUPAC name is 2-[4-[[(6-fluoroquinazolin-4-yl)amino]methyl]oxan-4-yl]ethanol.

Molecular Properties

Compound Name2-[4-[[(6-fluoroquinazolin-4-yl)amino]methyl]oxan-4-yl]ethanol
PubChem CID71983698
Molecular FormulaC16H20FN3O2
Molecular Weight305.35 g/mol
Exact Mass305.15
IUPAC Name2-[4-[[(6-fluoroquinazolin-4-yl)amino]methyl]oxan-4-yl]ethanol
SMILESOCCC1(CNc2ncnc3ccc(F)cc23)CCOCC1
InChIInChI=1S/C16H20FN3O2/c17-12-1-2-14-13(9-12)15(20-11-19-14)18-10-16(3-6-21)4-7-22-8-5-16/h1-2,9,11,21H,3-8,10H2,(H,18,19,20)
InChIKeyZLOQDWGQVALMFK-UHFFFAOYSA-N
XLogP2.36
TPSA67.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.35
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[[(6-fluoroquinazolin-4-yl)amino]methyl]oxan-4-yl]ethanol?
The IUPAC name of 2-[4-[[(6-fluoroquinazolin-4-yl)amino]methyl]oxan-4-yl]ethanol (CID 71983698) is 2-[4-[[(6-fluoroquinazolin-4-yl)amino]methyl]oxan-4-yl]ethanol.
What is the SMILES notation for 2-[4-[[(6-fluoroquinazolin-4-yl)amino]methyl]oxan-4-yl]ethanol?
The canonical SMILES for 2-[4-[[(6-fluoroquinazolin-4-yl)amino]methyl]oxan-4-yl]ethanol is OCCC1(CNc2ncnc3ccc(F)cc23)CCOCC1.
What is the InChIKey of 2-[4-[[(6-fluoroquinazolin-4-yl)amino]methyl]oxan-4-yl]ethanol?
The InChIKey is ZLOQDWGQVALMFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN3O2/c17-12-1-2-14-13(9-12)15(20-11-19-14)18-10-16(3-6-21)4-7-22-8-5-16/h1-2,9,11,21H,3-8,10H2,(H,18,19,20).
What are the key properties of 2-[4-[[(6-fluoroquinazolin-4-yl)amino]methyl]oxan-4-yl]ethanol?
2-[4-[[(6-fluoroquinazolin-4-yl)amino]methyl]oxan-4-yl]ethanol has a molecular weight of 305.35 g/mol, XLogP of 2.36, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[(6-fluoroquinazolin-4-yl)amino]methyl]oxan-4-yl]ethanol is sourced from PubChem (CID 71983698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).