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

C19H18N2O4 — CID 135573668

IUPAC[(1S)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] 2-(3-methoxyphenyl)acetate
SMILESCOc1cccc(CC(=O)O[C@@H](C)c2nc3ccccc3c(=O)[nH]2)c1
InChIInChI=1S/C19H18N2O4/c1-12(18-20-16-9-4-3-8-15(16)19(23)21-18)25-17(22)11-13-6-5-7-14(10-13)24-2/h3-10,12H,11H2,1-2H3,(H,20,21,23)/t12-/m0/s1
InChIKeyODMCSFRQHHEVLP-LBPRGKRZSA-N
MW338.36 g/mol
LogP2.78
Rot. Bonds5

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

[(1S)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] 2-(3-methoxyphenyl)acetate (PubChem CID 135573668) has the molecular formula C19H18N2O4 and a molecular weight of 338.36 g/mol. Its IUPAC name is [(1S)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] 2-(3-methoxyphenyl)acetate.

Molecular Properties

Compound Name[(1S)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] 2-(3-methoxyphenyl)acetate
PubChem CID135573668
Molecular FormulaC19H18N2O4
Molecular Weight338.36 g/mol
Exact Mass338.13
IUPAC Name[(1S)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] 2-(3-methoxyphenyl)acetate
SMILESCOc1cccc(CC(=O)O[C@@H](C)c2nc3ccccc3c(=O)[nH]2)c1
InChIInChI=1S/C19H18N2O4/c1-12(18-20-16-9-4-3-8-15(16)19(23)21-18)25-17(22)11-13-6-5-7-14(10-13)24-2/h3-10,12H,11H2,1-2H3,(H,20,21,23)/t12-/m0/s1
InChIKeyODMCSFRQHHEVLP-LBPRGKRZSA-N
XLogP2.78
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 ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] 2-phenylacetate
CID 135840683
[(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] 2-(3-fluorophenyl)acetate
CID 135744654
[(1S)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] 3-(3,5-dimethoxyphenyl)propanoate
CID 135780436
[(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] 2-(3-fluoro-4-methoxyphenyl)acetate
CID 135774657
[(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] 3-methoxybenzoate
CID 135582870
[(1S)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] 2-(4-phenylphenyl)acetate
CID 135745593
[(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] 2-phenoxyacetate
CID 135582860
[(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] 3-phenoxypropanoate
CID 135819391
[(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] 3,5-dimethoxybenzoate
CID 135582908
[(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] 2-(3-methylphenoxy)acetate
CID 135720330
[(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] 4-phenoxybutanoate
CID 135816774
[(1S)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] 3-(2-methoxyphenyl)propanoate
CID 135803855

Frequently Asked Questions

What is the IUPAC name of [(1S)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] 2-(3-methoxyphenyl)acetate?
The IUPAC name of [(1S)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] 2-(3-methoxyphenyl)acetate (CID 135573668) is [(1S)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] 2-(3-methoxyphenyl)acetate.
What is the SMILES notation for [(1S)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] 2-(3-methoxyphenyl)acetate?
The canonical SMILES for [(1S)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] 2-(3-methoxyphenyl)acetate is COc1cccc(CC(=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-methoxyphenyl)acetate?
The InChIKey is ODMCSFRQHHEVLP-LBPRGKRZSA-N. The full InChI is InChI=1S/C19H18N2O4/c1-12(18-20-16-9-4-3-8-15(16)19(23)21-18)25-17(22)11-13-6-5-7-14(10-13)24-2/h3-10,12H,11H2,1-2H3,(H,20,21,23)/t12-/m0/s1.
What are the key properties of [(1S)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] 2-(3-methoxyphenyl)acetate?
[(1S)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] 2-(3-methoxyphenyl)acetate has a molecular weight of 338.36 g/mol, XLogP of 2.78, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] 2-(3-methoxyphenyl)acetate is sourced from PubChem (CID 135573668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).