3-(1-oxo-1-phenylpropan-2-yl)quinazolin-4-one

C17H14N2O2 — CID 2953193

IUPAC3-(1-oxo-1-phenylpropan-2-yl)quinazolin-4-one
SMILESCC(C(=O)c1ccccc1)n1cnc2ccccc2c1=O
InChIInChI=1S/C17H14N2O2/c1-12(16(20)13-7-3-2-4-8-13)19-11-18-15-10-6-5-9-14(15)17(19)21/h2-12H,1H3
InChIKeyDMLGQLXIKNVUDD-UHFFFAOYSA-N
MW278.31 g/mol
LogP2.84
Rot. Bonds3

About 3-(1-oxo-1-phenylpropan-2-yl)quinazolin-4-one

3-(1-oxo-1-phenylpropan-2-yl)quinazolin-4-one (PubChem CID 2953193) has the molecular formula C17H14N2O2 and a molecular weight of 278.31 g/mol. Its IUPAC name is 3-(1-oxo-1-phenylpropan-2-yl)quinazolin-4-one.

Molecular Properties

Compound Name3-(1-oxo-1-phenylpropan-2-yl)quinazolin-4-one
PubChem CID2953193
Molecular FormulaC17H14N2O2
Molecular Weight278.31 g/mol
Exact Mass278.11
IUPAC Name3-(1-oxo-1-phenylpropan-2-yl)quinazolin-4-one
SMILESCC(C(=O)c1ccccc1)n1cnc2ccccc2c1=O
InChIInChI=1S/C17H14N2O2/c1-12(16(20)13-7-3-2-4-8-13)19-11-18-15-10-6-5-9-14(15)17(19)21/h2-12H,1H3
InChIKeyDMLGQLXIKNVUDD-UHFFFAOYSA-N
XLogP2.84
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(1-oxo-1-phenylpropan-2-yl)quinazolin-4-one?
The IUPAC name of 3-(1-oxo-1-phenylpropan-2-yl)quinazolin-4-one (CID 2953193) is 3-(1-oxo-1-phenylpropan-2-yl)quinazolin-4-one.
What is the SMILES notation for 3-(1-oxo-1-phenylpropan-2-yl)quinazolin-4-one?
The canonical SMILES for 3-(1-oxo-1-phenylpropan-2-yl)quinazolin-4-one is CC(C(=O)c1ccccc1)n1cnc2ccccc2c1=O.
What is the InChIKey of 3-(1-oxo-1-phenylpropan-2-yl)quinazolin-4-one?
The InChIKey is DMLGQLXIKNVUDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O2/c1-12(16(20)13-7-3-2-4-8-13)19-11-18-15-10-6-5-9-14(15)17(19)21/h2-12H,1H3.
What are the key properties of 3-(1-oxo-1-phenylpropan-2-yl)quinazolin-4-one?
3-(1-oxo-1-phenylpropan-2-yl)quinazolin-4-one has a molecular weight of 278.31 g/mol, XLogP of 2.84, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-oxo-1-phenylpropan-2-yl)quinazolin-4-one is sourced from PubChem (CID 2953193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).