[(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] 2-phenylacetate

C18H16N2O3 — CID 135840683

IUPAC[(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] 2-phenylacetate
SMILESC[C@@H](OC(=O)Cc1ccccc1)c1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C18H16N2O3/c1-12(23-16(21)11-13-7-3-2-4-8-13)17-19-15-10-6-5-9-14(15)18(22)20-17/h2-10,12H,11H2,1H3,(H,19,20,22)/t12-/m1/s1
InChIKeyAOQBVDGOVDJUKJ-GFCCVEGCSA-N
MW308.34 g/mol
LogP2.77
Rot. Bonds4

About [(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] 2-phenylacetate

[(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] 2-phenylacetate (PubChem CID 135840683) has the molecular formula C18H16N2O3 and a molecular weight of 308.34 g/mol. Its IUPAC name is [(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] 2-phenylacetate.

Molecular Properties

Compound Name[(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] 2-phenylacetate
PubChem CID135840683
Molecular FormulaC18H16N2O3
Molecular Weight308.34 g/mol
Exact Mass308.12
IUPAC Name[(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] 2-phenylacetate
SMILESC[C@@H](OC(=O)Cc1ccccc1)c1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C18H16N2O3/c1-12(23-16(21)11-13-7-3-2-4-8-13)17-19-15-10-6-5-9-14(15)18(22)20-17/h2-10,12H,11H2,1H3,(H,19,20,22)/t12-/m1/s1
InChIKeyAOQBVDGOVDJUKJ-GFCCVEGCSA-N
XLogP2.77
TPSA72.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(1S)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] 2-(4-phenylphenyl)acetate
CID 135745593
[(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] 2-(3-fluorophenyl)acetate
CID 135744654
[(1S)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] 2-(3-methoxyphenyl)acetate
CID 135573668
[(1S)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] 4-methylpentanoate
CID 135784464
[(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] 2-(3-fluoro-4-methoxyphenyl)acetate
CID 135774657
[(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] 2-(1,2-benzoxazol-3-yl)acetate
CID 135817635
[(1S)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] (3S)-3-phenylbutanoate
CID 135831951
[(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] 2-phenoxyacetate
CID 135582860
[(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] 3-phenoxypropanoate
CID 135819391
[(1S)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] 3-acetamidopropanoate
CID 135816941
[(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] 4-phenoxybutanoate
CID 135816774
[(1S)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] 3-(2-methoxyphenyl)propanoate
CID 135803855

Frequently Asked Questions

What is the IUPAC name of [(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] 2-phenylacetate?
The IUPAC name of [(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] 2-phenylacetate (CID 135840683) is [(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] 2-phenylacetate.
What is the SMILES notation for [(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] 2-phenylacetate?
The canonical SMILES for [(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] 2-phenylacetate is C[C@@H](OC(=O)Cc1ccccc1)c1nc2ccccc2c(=O)[nH]1.
What is the InChIKey of [(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] 2-phenylacetate?
The InChIKey is AOQBVDGOVDJUKJ-GFCCVEGCSA-N. The full InChI is InChI=1S/C18H16N2O3/c1-12(23-16(21)11-13-7-3-2-4-8-13)17-19-15-10-6-5-9-14(15)18(22)20-17/h2-10,12H,11H2,1H3,(H,19,20,22)/t12-/m1/s1.
What are the key properties of [(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] 2-phenylacetate?
[(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] 2-phenylacetate has a molecular weight of 308.34 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] 2-phenylacetate is sourced from PubChem (CID 135840683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).