1-(4-fluorophenyl)-1-quinazolin-4-ylethanol

C16H13FN2O — CID 53385741

IUPAC1-(4-fluorophenyl)-1-quinazolin-4-ylethanol
SMILESCC(O)(c1ccc(F)cc1)c1ncnc2ccccc12
InChIInChI=1S/C16H13FN2O/c1-16(20,11-6-8-12(17)9-7-11)15-13-4-2-3-5-14(13)18-10-19-15/h2-10,20H,1H3
InChIKeyRFHNNNIKIFBOSF-UHFFFAOYSA-N
MW268.29 g/mol
LogP3.02
Rot. Bonds2

About 1-(4-fluorophenyl)-1-quinazolin-4-ylethanol

1-(4-fluorophenyl)-1-quinazolin-4-ylethanol (PubChem CID 53385741) has the molecular formula C16H13FN2O and a molecular weight of 268.29 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-1-quinazolin-4-ylethanol.

Molecular Properties

Compound Name1-(4-fluorophenyl)-1-quinazolin-4-ylethanol
PubChem CID53385741
Molecular FormulaC16H13FN2O
Molecular Weight268.29 g/mol
Exact Mass268.10
IUPAC Name1-(4-fluorophenyl)-1-quinazolin-4-ylethanol
SMILESCC(O)(c1ccc(F)cc1)c1ncnc2ccccc12
InChIInChI=1S/C16H13FN2O/c1-16(20,11-6-8-12(17)9-7-11)15-13-4-2-3-5-14(13)18-10-19-15/h2-10,20H,1H3
InChIKeyRFHNNNIKIFBOSF-UHFFFAOYSA-N
XLogP3.02
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.29
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(4-fluorophenyl)-1-quinazolin-4-ylethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-1-quinazolin-4-ylethanol?
The IUPAC name of 1-(4-fluorophenyl)-1-quinazolin-4-ylethanol (CID 53385741) is 1-(4-fluorophenyl)-1-quinazolin-4-ylethanol.
What is the SMILES notation for 1-(4-fluorophenyl)-1-quinazolin-4-ylethanol?
The canonical SMILES for 1-(4-fluorophenyl)-1-quinazolin-4-ylethanol is CC(O)(c1ccc(F)cc1)c1ncnc2ccccc12.
What is the InChIKey of 1-(4-fluorophenyl)-1-quinazolin-4-ylethanol?
The InChIKey is RFHNNNIKIFBOSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN2O/c1-16(20,11-6-8-12(17)9-7-11)15-13-4-2-3-5-14(13)18-10-19-15/h2-10,20H,1H3.
What are the key properties of 1-(4-fluorophenyl)-1-quinazolin-4-ylethanol?
1-(4-fluorophenyl)-1-quinazolin-4-ylethanol has a molecular weight of 268.29 g/mol, XLogP of 3.02, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-1-quinazolin-4-ylethanol is sourced from PubChem (CID 53385741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).