4-[2-[(6-fluoroquinazolin-4-yl)amino]ethyl]phenol

C16H14FN3O — CID 24742056

IUPAC4-[2-[(6-fluoroquinazolin-4-yl)amino]ethyl]phenol
SMILESOc1ccc(CCNc2ncnc3ccc(F)cc23)cc1
InChIInChI=1S/C16H14FN3O/c17-12-3-6-15-14(9-12)16(20-10-19-15)18-8-7-11-1-4-13(21)5-2-11/h1-6,9-10,21H,7-8H2,(H,18,19,20)
InChIKeyZXBOCCFIMJJYTF-UHFFFAOYSA-N
MW283.31 g/mol
LogP3.13
Rot. Bonds4

About 4-[2-[(6-fluoroquinazolin-4-yl)amino]ethyl]phenol

4-[2-[(6-fluoroquinazolin-4-yl)amino]ethyl]phenol (PubChem CID 24742056) has the molecular formula C16H14FN3O and a molecular weight of 283.31 g/mol. Its IUPAC name is 4-[2-[(6-fluoroquinazolin-4-yl)amino]ethyl]phenol.

Molecular Properties

Compound Name4-[2-[(6-fluoroquinazolin-4-yl)amino]ethyl]phenol
PubChem CID24742056
Molecular FormulaC16H14FN3O
Molecular Weight283.31 g/mol
Exact Mass283.11
IUPAC Name4-[2-[(6-fluoroquinazolin-4-yl)amino]ethyl]phenol
SMILESOc1ccc(CCNc2ncnc3ccc(F)cc23)cc1
InChIInChI=1S/C16H14FN3O/c17-12-3-6-15-14(9-12)16(20-10-19-15)18-8-7-11-1-4-13(21)5-2-11/h1-6,9-10,21H,7-8H2,(H,18,19,20)
InChIKeyZXBOCCFIMJJYTF-UHFFFAOYSA-N
XLogP3.13
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.31
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[(6-fluoroquinazolin-4-yl)amino]ethyl]phenol?
The IUPAC name of 4-[2-[(6-fluoroquinazolin-4-yl)amino]ethyl]phenol (CID 24742056) is 4-[2-[(6-fluoroquinazolin-4-yl)amino]ethyl]phenol.
What is the SMILES notation for 4-[2-[(6-fluoroquinazolin-4-yl)amino]ethyl]phenol?
The canonical SMILES for 4-[2-[(6-fluoroquinazolin-4-yl)amino]ethyl]phenol is Oc1ccc(CCNc2ncnc3ccc(F)cc23)cc1.
What is the InChIKey of 4-[2-[(6-fluoroquinazolin-4-yl)amino]ethyl]phenol?
The InChIKey is ZXBOCCFIMJJYTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN3O/c17-12-3-6-15-14(9-12)16(20-10-19-15)18-8-7-11-1-4-13(21)5-2-11/h1-6,9-10,21H,7-8H2,(H,18,19,20).
What are the key properties of 4-[2-[(6-fluoroquinazolin-4-yl)amino]ethyl]phenol?
4-[2-[(6-fluoroquinazolin-4-yl)amino]ethyl]phenol has a molecular weight of 283.31 g/mol, XLogP of 3.13, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(6-fluoroquinazolin-4-yl)amino]ethyl]phenol is sourced from PubChem (CID 24742056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).