[(1S)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] 2-(3-acetylphenoxy)acetate

C20H18N2O5 — CID 135803873

IUPAC[(1S)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] 2-(3-acetylphenoxy)acetate
SMILESCC(=O)c1cccc(OCC(=O)O[C@@H](C)c2nc3ccccc3c(=O)[nH]2)c1
InChIInChI=1S/C20H18N2O5/c1-12(23)14-6-5-7-15(10-14)26-11-18(24)27-13(2)19-21-17-9-4-3-8-16(17)20(25)22-19/h3-10,13H,11H2,1-2H3,(H,21,22,25)/t13-/m0/s1
InChIKeyHPIRWVDOUDDMHE-ZDUSSCGKSA-N
MW366.37 g/mol
LogP2.81
Rot. Bonds6

About [(1S)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] 2-(3-acetylphenoxy)acetate

[(1S)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] 2-(3-acetylphenoxy)acetate (PubChem CID 135803873) has the molecular formula C20H18N2O5 and a molecular weight of 366.37 g/mol. Its IUPAC name is [(1S)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] 2-(3-acetylphenoxy)acetate.

Molecular Properties

Compound Name[(1S)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] 2-(3-acetylphenoxy)acetate
PubChem CID135803873
Molecular FormulaC20H18N2O5
Molecular Weight366.37 g/mol
Exact Mass366.12
IUPAC Name[(1S)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] 2-(3-acetylphenoxy)acetate
SMILESCC(=O)c1cccc(OCC(=O)O[C@@H](C)c2nc3ccccc3c(=O)[nH]2)c1
InChIInChI=1S/C20H18N2O5/c1-12(23)14-6-5-7-15(10-14)26-11-18(24)27-13(2)19-21-17-9-4-3-8-16(17)20(25)22-19/h3-10,13H,11H2,1-2H3,(H,21,22,25)/t13-/m0/s1
InChIKeyHPIRWVDOUDDMHE-ZDUSSCGKSA-N
XLogP2.81
TPSA98.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.37
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [(1S)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] 2-(3-acetylphenoxy)acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] 2-phenoxyacetate
CID 135582860
[(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-(4-acetyl-2-methoxyphenoxy)acetate
CID 135849359
[(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] 3-(2-methylpropoxy)benzoate
CID 135739563
[(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] 3-methoxybenzoate
CID 135582870
[(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] 2-(2-methylphenoxy)acetate
CID 135797209
[(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
[(1S)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] 2-(3-methoxyphenyl)acetate
CID 135573668
[(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] 2-phenylacetate
CID 135840683
[(1S)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] 4-methylpentanoate
CID 135784464

Frequently Asked Questions

What is the IUPAC name of [(1S)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] 2-(3-acetylphenoxy)acetate?
The IUPAC name of [(1S)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] 2-(3-acetylphenoxy)acetate (CID 135803873) is [(1S)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] 2-(3-acetylphenoxy)acetate.
What is the SMILES notation for [(1S)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] 2-(3-acetylphenoxy)acetate?
The canonical SMILES for [(1S)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] 2-(3-acetylphenoxy)acetate is CC(=O)c1cccc(OCC(=O)O[C@@H](C)c2nc3ccccc3c(=O)[nH]2)c1.
What is the InChIKey of [(1S)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] 2-(3-acetylphenoxy)acetate?
The InChIKey is HPIRWVDOUDDMHE-ZDUSSCGKSA-N. The full InChI is InChI=1S/C20H18N2O5/c1-12(23)14-6-5-7-15(10-14)26-11-18(24)27-13(2)19-21-17-9-4-3-8-16(17)20(25)22-19/h3-10,13H,11H2,1-2H3,(H,21,22,25)/t13-/m0/s1.
What are the key properties of [(1S)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] 2-(3-acetylphenoxy)acetate?
[(1S)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] 2-(3-acetylphenoxy)acetate has a molecular weight of 366.37 g/mol, XLogP of 2.81, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] 2-(3-acetylphenoxy)acetate is sourced from PubChem (CID 135803873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).