1-phenyl-1-quinazolin-4-ylethanol

C16H14N2O — CID 13439023

IUPAC1-phenyl-1-quinazolin-4-ylethanol
SMILESCC(O)(c1ccccc1)c1ncnc2ccccc12
InChIInChI=1S/C16H14N2O/c1-16(19,12-7-3-2-4-8-12)15-13-9-5-6-10-14(13)17-11-18-15/h2-11,19H,1H3
InChIKeyZVNMAONBHLDEDD-UHFFFAOYSA-N
MW250.30 g/mol
LogP2.89
Rot. Bonds2

About 1-phenyl-1-quinazolin-4-ylethanol

1-phenyl-1-quinazolin-4-ylethanol (PubChem CID 13439023) has the molecular formula C16H14N2O and a molecular weight of 250.30 g/mol. Its IUPAC name is 1-phenyl-1-quinazolin-4-ylethanol.

Molecular Properties

Compound Name1-phenyl-1-quinazolin-4-ylethanol
PubChem CID13439023
Molecular FormulaC16H14N2O
Molecular Weight250.30 g/mol
Exact Mass250.11
IUPAC Name1-phenyl-1-quinazolin-4-ylethanol
SMILESCC(O)(c1ccccc1)c1ncnc2ccccc12
InChIInChI=1S/C16H14N2O/c1-16(19,12-7-3-2-4-8-12)15-13-9-5-6-10-14(13)17-11-18-15/h2-11,19H,1H3
InChIKeyZVNMAONBHLDEDD-UHFFFAOYSA-N
XLogP2.89
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-1-quinazolin-4-ylethanol?
The IUPAC name of 1-phenyl-1-quinazolin-4-ylethanol (CID 13439023) is 1-phenyl-1-quinazolin-4-ylethanol.
What is the SMILES notation for 1-phenyl-1-quinazolin-4-ylethanol?
The canonical SMILES for 1-phenyl-1-quinazolin-4-ylethanol is CC(O)(c1ccccc1)c1ncnc2ccccc12.
What is the InChIKey of 1-phenyl-1-quinazolin-4-ylethanol?
The InChIKey is ZVNMAONBHLDEDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O/c1-16(19,12-7-3-2-4-8-12)15-13-9-5-6-10-14(13)17-11-18-15/h2-11,19H,1H3.
What are the key properties of 1-phenyl-1-quinazolin-4-ylethanol?
1-phenyl-1-quinazolin-4-ylethanol has a molecular weight of 250.30 g/mol, XLogP of 2.89, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-1-quinazolin-4-ylethanol is sourced from PubChem (CID 13439023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).