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

C18H16N2O4 — CID 135582870

IUPAC[(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] 3-methoxybenzoate
SMILESCOc1cccc(C(=O)O[C@H](C)c2nc3ccccc3c(=O)[nH]2)c1
InChIInChI=1S/C18H16N2O4/c1-11(24-18(22)12-6-5-7-13(10-12)23-2)16-19-15-9-4-3-8-14(15)17(21)20-16/h3-11H,1-2H3,(H,19,20,21)/t11-/m1/s1
InChIKeyWUVWCLVTOQRFPQ-LLVKDONJSA-N
MW324.34 g/mol
LogP2.85
Rot. Bonds4

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

[(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] 3-methoxybenzoate (PubChem CID 135582870) has the molecular formula C18H16N2O4 and a molecular weight of 324.34 g/mol. Its IUPAC name is [(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] 3-methoxybenzoate.

Molecular Properties

Compound Name[(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] 3-methoxybenzoate
PubChem CID135582870
Molecular FormulaC18H16N2O4
Molecular Weight324.34 g/mol
Exact Mass324.11
IUPAC Name[(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] 3-methoxybenzoate
SMILESCOc1cccc(C(=O)O[C@H](C)c2nc3ccccc3c(=O)[nH]2)c1
InChIInChI=1S/C18H16N2O4/c1-11(24-18(22)12-6-5-7-13(10-12)23-2)16-19-15-9-4-3-8-14(15)17(21)20-16/h3-11H,1-2H3,(H,19,20,21)/t11-/m1/s1
InChIKeyWUVWCLVTOQRFPQ-LLVKDONJSA-N
XLogP2.85
TPSA81.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.34
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] 3,5-dimethoxybenzoate
CID 135582908
[(1S)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] 3-(2-methylpropoxy)benzoate
CID 135739563
[(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] 3,4,5-trimethoxybenzoate
CID 135745596
[(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] 2-hydroxy-4-methoxybenzoate
CID 135744652
[(1S)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] 2-(3-methoxyphenyl)acetate
CID 135573668
[(1S)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] 4-fluorobenzoate
CID 135583391
1-(4-oxo-3H-quinazolin-2-yl)ethyl 3-(methylsulfamoyl)benzoate
CID 135959606
[(1S)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] 3-ethoxy-4-methoxybenzoate
CID 135745967
1-(4-oxo-3H-quinazolin-2-yl)ethyl 3-(diethylsulfamoyl)benzoate
CID 135991717
[(1S)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] 4-(4-hydroxyphenyl)benzoate
CID 135780900
[(1S)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] 2-(3-acetylphenoxy)acetate
CID 135803873
[(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] naphthalene-1-carboxylate
CID 135720127

Frequently Asked Questions

What is the IUPAC name of [(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] 3-methoxybenzoate?
The IUPAC name of [(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] 3-methoxybenzoate (CID 135582870) is [(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] 3-methoxybenzoate.
What is the SMILES notation for [(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] 3-methoxybenzoate?
The canonical SMILES for [(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] 3-methoxybenzoate is COc1cccc(C(=O)O[C@H](C)c2nc3ccccc3c(=O)[nH]2)c1.
What is the InChIKey of [(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] 3-methoxybenzoate?
The InChIKey is WUVWCLVTOQRFPQ-LLVKDONJSA-N. The full InChI is InChI=1S/C18H16N2O4/c1-11(24-18(22)12-6-5-7-13(10-12)23-2)16-19-15-9-4-3-8-14(15)17(21)20-16/h3-11H,1-2H3,(H,19,20,21)/t11-/m1/s1.
What are the key properties of [(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] 3-methoxybenzoate?
[(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] 3-methoxybenzoate has a molecular weight of 324.34 g/mol, XLogP of 2.85, 4 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-methoxybenzoate is sourced from PubChem (CID 135582870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).