3-(2-hydroxyethyl)-1-phenyl-2H-quinazolin-4-one

C16H16N2O2 — CID 19706968

IUPAC3-(2-hydroxyethyl)-1-phenyl-2H-quinazolin-4-one
SMILESO=C1c2ccccc2N(c2ccccc2)CN1CCO
InChIInChI=1S/C16H16N2O2/c19-11-10-17-12-18(13-6-2-1-3-7-13)15-9-5-4-8-14(15)16(17)20/h1-9,19H,10-12H2
InChIKeyWLABKNRZRNLEBM-UHFFFAOYSA-N
MW268.32 g/mol
LogP2.23
Rot. Bonds3

About 3-(2-hydroxyethyl)-1-phenyl-2H-quinazolin-4-one

3-(2-hydroxyethyl)-1-phenyl-2H-quinazolin-4-one (PubChem CID 19706968) has the molecular formula C16H16N2O2 and a molecular weight of 268.32 g/mol. Its IUPAC name is 3-(2-hydroxyethyl)-1-phenyl-2H-quinazolin-4-one.

Molecular Properties

Compound Name3-(2-hydroxyethyl)-1-phenyl-2H-quinazolin-4-one
PubChem CID19706968
Molecular FormulaC16H16N2O2
Molecular Weight268.32 g/mol
Exact Mass268.12
IUPAC Name3-(2-hydroxyethyl)-1-phenyl-2H-quinazolin-4-one
SMILESO=C1c2ccccc2N(c2ccccc2)CN1CCO
InChIInChI=1S/C16H16N2O2/c19-11-10-17-12-18(13-6-2-1-3-7-13)15-9-5-4-8-14(15)16(17)20/h1-9,19H,10-12H2
InChIKeyWLABKNRZRNLEBM-UHFFFAOYSA-N
XLogP2.23
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxyethyl)-1-phenyl-2H-quinazolin-4-one?
The IUPAC name of 3-(2-hydroxyethyl)-1-phenyl-2H-quinazolin-4-one (CID 19706968) is 3-(2-hydroxyethyl)-1-phenyl-2H-quinazolin-4-one.
What is the SMILES notation for 3-(2-hydroxyethyl)-1-phenyl-2H-quinazolin-4-one?
The canonical SMILES for 3-(2-hydroxyethyl)-1-phenyl-2H-quinazolin-4-one is O=C1c2ccccc2N(c2ccccc2)CN1CCO.
What is the InChIKey of 3-(2-hydroxyethyl)-1-phenyl-2H-quinazolin-4-one?
The InChIKey is WLABKNRZRNLEBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2/c19-11-10-17-12-18(13-6-2-1-3-7-13)15-9-5-4-8-14(15)16(17)20/h1-9,19H,10-12H2.
What are the key properties of 3-(2-hydroxyethyl)-1-phenyl-2H-quinazolin-4-one?
3-(2-hydroxyethyl)-1-phenyl-2H-quinazolin-4-one has a molecular weight of 268.32 g/mol, XLogP of 2.23, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxyethyl)-1-phenyl-2H-quinazolin-4-one is sourced from PubChem (CID 19706968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).