[(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] 2,5-dimethylbenzoate

C19H18N2O3 — CID 135582910

IUPAC[(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] 2,5-dimethylbenzoate
SMILESCc1ccc(C)c(C(=O)O[C@H](C)c2nc3ccccc3c(=O)[nH]2)c1
InChIInChI=1S/C19H18N2O3/c1-11-8-9-12(2)15(10-11)19(23)24-13(3)17-20-16-7-5-4-6-14(16)18(22)21-17/h4-10,13H,1-3H3,(H,20,21,22)/t13-/m1/s1
InChIKeyTUIONVMXOXZIPZ-CYBMUJFWSA-N
MW322.36 g/mol
LogP3.46
Rot. Bonds3

About [(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] 2,5-dimethylbenzoate

[(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] 2,5-dimethylbenzoate (PubChem CID 135582910) has the molecular formula C19H18N2O3 and a molecular weight of 322.36 g/mol. Its IUPAC name is [(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] 2,5-dimethylbenzoate.

Molecular Properties

Compound Name[(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] 2,5-dimethylbenzoate
PubChem CID135582910
Molecular FormulaC19H18N2O3
Molecular Weight322.36 g/mol
Exact Mass322.13
IUPAC Name[(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] 2,5-dimethylbenzoate
SMILESCc1ccc(C)c(C(=O)O[C@H](C)c2nc3ccccc3c(=O)[nH]2)c1
InChIInChI=1S/C19H18N2O3/c1-11-8-9-12(2)15(10-11)19(23)24-13(3)17-20-16-7-5-4-6-14(16)18(22)21-17/h4-10,13H,1-3H3,(H,20,21,22)/t13-/m1/s1
InChIKeyTUIONVMXOXZIPZ-CYBMUJFWSA-N
XLogP3.46
TPSA72.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] naphthalene-1-carboxylate
CID 135720127
1-(4-oxo-3H-quinazolin-2-yl)ethyl 2-fluorobenzoate
CID 135906623
[(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] 2-oxo-1H-quinoline-4-carboxylate
CID 135720306
[(1S)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] 2-chloro-4,6-dimethylpyridine-3-carboxylate
CID 135780448
[(1S)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] 1,5-dimethylpyrazole-4-carboxylate
CID 135907225
[(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] 5-bromo-2-hydroxybenzoate
CID 135582951
1-(4-oxo-3H-quinazolin-2-yl)ethyl quinoline-2-carboxylate
CID 135881200
[(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] 2-(2-chlorophenyl)quinoline-4-carboxylate
CID 135928214
[(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] 5-bromo-2-fluorobenzoate
CID 135612269
[(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] 2-hydroxy-4-methoxybenzoate
CID 135744652
1-(4-oxo-3H-quinazolin-2-yl)ethyl 5-methylthiophene-2-carboxylate
CID 135665500

Frequently Asked Questions

What is the IUPAC name of [(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] 2,5-dimethylbenzoate?
The IUPAC name of [(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] 2,5-dimethylbenzoate (CID 135582910) is [(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] 2,5-dimethylbenzoate.
What is the SMILES notation for [(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] 2,5-dimethylbenzoate?
The canonical SMILES for [(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] 2,5-dimethylbenzoate is Cc1ccc(C)c(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] 2,5-dimethylbenzoate?
The InChIKey is TUIONVMXOXZIPZ-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H18N2O3/c1-11-8-9-12(2)15(10-11)19(23)24-13(3)17-20-16-7-5-4-6-14(16)18(22)21-17/h4-10,13H,1-3H3,(H,20,21,22)/t13-/m1/s1.
What are the key properties of [(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] 2,5-dimethylbenzoate?
[(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] 2,5-dimethylbenzoate has a molecular weight of 322.36 g/mol, XLogP of 3.46, 3 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] 2,5-dimethylbenzoate is sourced from PubChem (CID 135582910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).