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

C18H15FN2O3 — CID 135744654

IUPAC[(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] 2-(3-fluorophenyl)acetate
SMILESC[C@@H](OC(=O)Cc1cccc(F)c1)c1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C18H15FN2O3/c1-11(24-16(22)10-12-5-4-6-13(19)9-12)17-20-15-8-3-2-7-14(15)18(23)21-17/h2-9,11H,10H2,1H3,(H,20,21,23)/t11-/m1/s1
InChIKeyJWEYQRVIYCYIFA-LLVKDONJSA-N
MW326.33 g/mol
LogP2.91
Rot. Bonds4

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

[(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] 2-(3-fluorophenyl)acetate (PubChem CID 135744654) has the molecular formula C18H15FN2O3 and a molecular weight of 326.33 g/mol. Its IUPAC name is [(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] 2-(3-fluorophenyl)acetate.

Molecular Properties

Compound Name[(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] 2-(3-fluorophenyl)acetate
PubChem CID135744654
Molecular FormulaC18H15FN2O3
Molecular Weight326.33 g/mol
Exact Mass326.11
IUPAC Name[(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] 2-(3-fluorophenyl)acetate
SMILESC[C@@H](OC(=O)Cc1cccc(F)c1)c1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C18H15FN2O3/c1-11(24-16(22)10-12-5-4-6-13(19)9-12)17-20-15-8-3-2-7-14(15)18(23)21-17/h2-9,11H,10H2,1H3,(H,20,21,23)/t11-/m1/s1
InChIKeyJWEYQRVIYCYIFA-LLVKDONJSA-N
XLogP2.91
TPSA72.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.33
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] 2-phenylacetate
CID 135840683
[(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-(3-fluoro-4-methoxyphenyl)acetate
CID 135774657
[(1S)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] 2-(4-phenylphenyl)acetate
CID 135745593
[(1R)-1-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)ethyl] 2-(3-fluorophenyl)acetate
CID 7839251
[(1S)-1-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)ethyl] 2-(3-fluorophenyl)acetate
CID 7839252
[(1S)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] 4-fluorobenzoate
CID 135583391
[(1S)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] 4-methylpentanoate
CID 135784464
[(1S)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] 1-(3-fluorophenyl)cyclopentane-1-carboxylate
CID 135797195
[(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

Frequently Asked Questions

What is the IUPAC name of [(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] 2-(3-fluorophenyl)acetate?
The IUPAC name of [(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] 2-(3-fluorophenyl)acetate (CID 135744654) is [(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] 2-(3-fluorophenyl)acetate.
What is the SMILES notation for [(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] 2-(3-fluorophenyl)acetate?
The canonical SMILES for [(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] 2-(3-fluorophenyl)acetate is C[C@@H](OC(=O)Cc1cccc(F)c1)c1nc2ccccc2c(=O)[nH]1.
What is the InChIKey of [(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] 2-(3-fluorophenyl)acetate?
The InChIKey is JWEYQRVIYCYIFA-LLVKDONJSA-N. The full InChI is InChI=1S/C18H15FN2O3/c1-11(24-16(22)10-12-5-4-6-13(19)9-12)17-20-15-8-3-2-7-14(15)18(23)21-17/h2-9,11H,10H2,1H3,(H,20,21,23)/t11-/m1/s1.
What are the key properties of [(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] 2-(3-fluorophenyl)acetate?
[(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] 2-(3-fluorophenyl)acetate has a molecular weight of 326.33 g/mol, XLogP of 2.91, 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-(3-fluorophenyl)acetate is sourced from PubChem (CID 135744654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).