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

C18H16N2O4 — CID 135582860

IUPAC[(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] 2-phenoxyacetate
SMILESC[C@@H](OC(=O)COc1ccccc1)c1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C18H16N2O4/c1-12(24-16(21)11-23-13-7-3-2-4-8-13)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
InChIKeyLWJLZHWNEISXIS-GFCCVEGCSA-N
MW324.34 g/mol
LogP2.61
Rot. Bonds5

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

[(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] 2-phenoxyacetate (PubChem CID 135582860) has the molecular formula C18H16N2O4 and a molecular weight of 324.34 g/mol. Its IUPAC name is [(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] 2-phenoxyacetate.

Molecular Properties

Compound Name[(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] 2-phenoxyacetate
PubChem CID135582860
Molecular FormulaC18H16N2O4
Molecular Weight324.34 g/mol
Exact Mass324.11
IUPAC Name[(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] 2-phenoxyacetate
SMILESC[C@@H](OC(=O)COc1ccccc1)c1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C18H16N2O4/c1-12(24-16(21)11-23-13-7-3-2-4-8-13)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
InChIKeyLWJLZHWNEISXIS-GFCCVEGCSA-N
XLogP2.61
TPSA81.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.34
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] 2-(3-methylphenoxy)acetate
CID 135720330
[(1S)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] 2-(3-acetylphenoxy)acetate
CID 135803873
[(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] 3-phenoxypropanoate
CID 135819391
[(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] 4-phenoxybutanoate
CID 135816774
[(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] 2-(2-methylphenoxy)acetate
CID 135797209
[(1S)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] (2S)-2-[(2-phenoxyacetyl)amino]propanoate
CID 135817601
[(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] 2-phenylacetate
CID 135840683
1-(4-oxo-3H-quinazolin-2-yl)ethyl 3-(4-methylphenoxy)propanoate
CID 135895426
[(1S)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] 4-methylpentanoate
CID 135784464
[(1S)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] (3S)-3-phenylbutanoate
CID 135831951
[(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] 2-(4-acetyl-2-methoxyphenoxy)acetate
CID 135849360
[(1S)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] 2-(4-acetyl-2-methoxyphenoxy)acetate
CID 135849359

Frequently Asked Questions

What is the IUPAC name of [(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] 2-phenoxyacetate?
The IUPAC name of [(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] 2-phenoxyacetate (CID 135582860) is [(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] 2-phenoxyacetate.
What is the SMILES notation for [(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] 2-phenoxyacetate?
The canonical SMILES for [(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] 2-phenoxyacetate is C[C@@H](OC(=O)COc1ccccc1)c1nc2ccccc2c(=O)[nH]1.
What is the InChIKey of [(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] 2-phenoxyacetate?
The InChIKey is LWJLZHWNEISXIS-GFCCVEGCSA-N. The full InChI is InChI=1S/C18H16N2O4/c1-12(24-16(21)11-23-13-7-3-2-4-8-13)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-phenoxyacetate?
[(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] 2-phenoxyacetate has a molecular weight of 324.34 g/mol, XLogP of 2.61, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] 2-phenoxyacetate is sourced from PubChem (CID 135582860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).