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

C19H18N2O4 — CID 135819391

IUPAC[(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] 3-phenoxypropanoate
SMILESC[C@@H](OC(=O)CCOc1ccccc1)c1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C19H18N2O4/c1-13(18-20-16-10-6-5-9-15(16)19(23)21-18)25-17(22)11-12-24-14-7-3-2-4-8-14/h2-10,13H,11-12H2,1H3,(H,20,21,23)/t13-/m1/s1
InChIKeyNSOOVUQTLIUCHD-CYBMUJFWSA-N
MW338.36 g/mol
LogP3.00
Rot. Bonds6

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

[(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] 3-phenoxypropanoate (PubChem CID 135819391) has the molecular formula C19H18N2O4 and a molecular weight of 338.36 g/mol. Its IUPAC name is [(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] 3-phenoxypropanoate.

Molecular Properties

Compound Name[(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] 3-phenoxypropanoate
PubChem CID135819391
Molecular FormulaC19H18N2O4
Molecular Weight338.36 g/mol
Exact Mass338.13
IUPAC Name[(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] 3-phenoxypropanoate
SMILESC[C@@H](OC(=O)CCOc1ccccc1)c1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C19H18N2O4/c1-13(18-20-16-10-6-5-9-15(16)19(23)21-18)25-17(22)11-12-24-14-7-3-2-4-8-14/h2-10,13H,11-12H2,1H3,(H,20,21,23)/t13-/m1/s1
InChIKeyNSOOVUQTLIUCHD-CYBMUJFWSA-N
XLogP3.00
TPSA81.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.36
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] 4-phenoxybutanoate
CID 135816774
1-(4-oxo-3H-quinazolin-2-yl)ethyl 3-(4-methylphenoxy)propanoate
CID 135895426
[(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] 2-phenoxyacetate
CID 135582860
[(1S)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] 4-methylpentanoate
CID 135784464
[(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] 2-phenylacetate
CID 135840683
[(1S)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] 3-acetamidopropanoate
CID 135816941
[(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] 2-(3-methylphenoxy)acetate
CID 135720330
[(1S)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] 3-(3,5-dimethoxyphenyl)propanoate
CID 135780436
[(1S)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] (3S)-3-phenylbutanoate
CID 135831951
[(1S)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] 3-(2-methoxyphenyl)propanoate
CID 135803855
[(1S)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] 2-(3-acetylphenoxy)acetate
CID 135803873
[(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] 2-(2-methylphenoxy)acetate
CID 135797209

Frequently Asked Questions

What is the IUPAC name of [(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] 3-phenoxypropanoate?
The IUPAC name of [(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] 3-phenoxypropanoate (CID 135819391) is [(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] 3-phenoxypropanoate.
What is the SMILES notation for [(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] 3-phenoxypropanoate?
The canonical SMILES for [(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] 3-phenoxypropanoate is C[C@@H](OC(=O)CCOc1ccccc1)c1nc2ccccc2c(=O)[nH]1.
What is the InChIKey of [(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] 3-phenoxypropanoate?
The InChIKey is NSOOVUQTLIUCHD-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H18N2O4/c1-13(18-20-16-10-6-5-9-15(16)19(23)21-18)25-17(22)11-12-24-14-7-3-2-4-8-14/h2-10,13H,11-12H2,1H3,(H,20,21,23)/t13-/m1/s1.
What are the key properties of [(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] 3-phenoxypropanoate?
[(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] 3-phenoxypropanoate has a molecular weight of 338.36 g/mol, XLogP of 3.00, 6 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] 3-phenoxypropanoate is sourced from PubChem (CID 135819391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).