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

C19H18N2O4 — CID 135720330

IUPAC[(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] 2-(3-methylphenoxy)acetate
SMILESCc1cccc(OCC(=O)O[C@H](C)c2nc3ccccc3c(=O)[nH]2)c1
InChIInChI=1S/C19H18N2O4/c1-12-6-5-7-14(10-12)24-11-17(22)25-13(2)18-20-16-9-4-3-8-15(16)19(23)21-18/h3-10,13H,11H2,1-2H3,(H,20,21,23)/t13-/m1/s1
InChIKeyYNTHPGSSPCLLEH-CYBMUJFWSA-N
MW338.36 g/mol
LogP2.91
Rot. Bonds5

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

[(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] 2-(3-methylphenoxy)acetate (PubChem CID 135720330) 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] 2-(3-methylphenoxy)acetate.

Molecular Properties

Compound Name[(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] 2-(3-methylphenoxy)acetate
PubChem CID135720330
Molecular FormulaC19H18N2O4
Molecular Weight338.36 g/mol
Exact Mass338.13
IUPAC Name[(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] 2-(3-methylphenoxy)acetate
SMILESCc1cccc(OCC(=O)O[C@H](C)c2nc3ccccc3c(=O)[nH]2)c1
InChIInChI=1S/C19H18N2O4/c1-12-6-5-7-14(10-12)24-11-17(22)25-13(2)18-20-16-9-4-3-8-15(16)19(23)21-18/h3-10,13H,11H2,1-2H3,(H,20,21,23)/t13-/m1/s1
InChIKeyYNTHPGSSPCLLEH-CYBMUJFWSA-N
XLogP2.91
TPSA81.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.36
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] 2-phenoxyacetate
CID 135582860
[(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
[(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
1-(4-oxo-3H-quinazolin-2-yl)ethyl 3-(4-methylphenoxy)propanoate
CID 135895426
[(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] 3-(2-methylpropoxy)benzoate
CID 135739563
[(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] 2-(2,4-dimethylphenyl)sulfanylacetate
CID 135710821
[(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-(3-methylphenoxy)acetate?
The IUPAC name of [(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] 2-(3-methylphenoxy)acetate (CID 135720330) is [(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] 2-(3-methylphenoxy)acetate.
What is the SMILES notation for [(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] 2-(3-methylphenoxy)acetate?
The canonical SMILES for [(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] 2-(3-methylphenoxy)acetate is Cc1cccc(OCC(=O)O[C@H](C)c2nc3ccccc3c(=O)[nH]2)c1.
What is the InChIKey of [(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] 2-(3-methylphenoxy)acetate?
The InChIKey is YNTHPGSSPCLLEH-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H18N2O4/c1-12-6-5-7-14(10-12)24-11-17(22)25-13(2)18-20-16-9-4-3-8-15(16)19(23)21-18/h3-10,13H,11H2,1-2H3,(H,20,21,23)/t13-/m1/s1.
What are the key properties of [(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] 2-(3-methylphenoxy)acetate?
[(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] 2-(3-methylphenoxy)acetate has a molecular weight of 338.36 g/mol, XLogP of 2.91, 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-(3-methylphenoxy)acetate is sourced from PubChem (CID 135720330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).