1-(4-oxo-3H-quinazolin-2-yl)ethyl 5-methylthiophene-2-carboxylate

C16H14N2O3S — CID 135665500

IUPAC1-(4-oxo-3H-quinazolin-2-yl)ethyl 5-methylthiophene-2-carboxylate
SMILESCc1ccc(C(=O)OC(C)c2nc3ccccc3c(=O)[nH]2)s1
InChIInChI=1S/C16H14N2O3S/c1-9-7-8-13(22-9)16(20)21-10(2)14-17-12-6-4-3-5-11(12)15(19)18-14/h3-8,10H,1-2H3,(H,17,18,19)
InChIKeyFHJWZBJUZHZZFS-UHFFFAOYSA-N
MW314.37 g/mol
LogP3.21
Rot. Bonds3

About 1-(4-oxo-3H-quinazolin-2-yl)ethyl 5-methylthiophene-2-carboxylate

1-(4-oxo-3H-quinazolin-2-yl)ethyl 5-methylthiophene-2-carboxylate (PubChem CID 135665500) has the molecular formula C16H14N2O3S and a molecular weight of 314.37 g/mol. Its IUPAC name is 1-(4-oxo-3H-quinazolin-2-yl)ethyl 5-methylthiophene-2-carboxylate.

Molecular Properties

Compound Name1-(4-oxo-3H-quinazolin-2-yl)ethyl 5-methylthiophene-2-carboxylate
PubChem CID135665500
Molecular FormulaC16H14N2O3S
Molecular Weight314.37 g/mol
Exact Mass314.07
IUPAC Name1-(4-oxo-3H-quinazolin-2-yl)ethyl 5-methylthiophene-2-carboxylate
SMILESCc1ccc(C(=O)OC(C)c2nc3ccccc3c(=O)[nH]2)s1
InChIInChI=1S/C16H14N2O3S/c1-9-7-8-13(22-9)16(20)21-10(2)14-17-12-6-4-3-5-11(12)15(19)18-14/h3-8,10H,1-2H3,(H,17,18,19)
InChIKeyFHJWZBJUZHZZFS-UHFFFAOYSA-N
XLogP3.21
TPSA72.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.37
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] 5-chlorothiophene-2-carboxylate
CID 135831337
[(1S)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] 4-fluorobenzoate
CID 135583391
[(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] pyridine-2-carboxylate
CID 135583374
[(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] naphthalene-1-carboxylate
CID 135720127
[(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] 3,5-dimethoxybenzoate
CID 135582908
1-(4-oxo-3H-quinazolin-2-yl)ethyl quinoline-2-carboxylate
CID 135881200
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
[(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] 2,5-dimethylbenzoate
CID 135582910
[(1S)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] 4-(4-hydroxyphenyl)benzoate
CID 135780900
[(1S)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] 5-nitro-1-benzothiophene-2-carboxylate
CID 135588130
[(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] 2,3-dihydro-1,4-benzodioxine-6-carboxylate
CID 135720313

Frequently Asked Questions

What is the IUPAC name of 1-(4-oxo-3H-quinazolin-2-yl)ethyl 5-methylthiophene-2-carboxylate?
The IUPAC name of 1-(4-oxo-3H-quinazolin-2-yl)ethyl 5-methylthiophene-2-carboxylate (CID 135665500) is 1-(4-oxo-3H-quinazolin-2-yl)ethyl 5-methylthiophene-2-carboxylate.
What is the SMILES notation for 1-(4-oxo-3H-quinazolin-2-yl)ethyl 5-methylthiophene-2-carboxylate?
The canonical SMILES for 1-(4-oxo-3H-quinazolin-2-yl)ethyl 5-methylthiophene-2-carboxylate is Cc1ccc(C(=O)OC(C)c2nc3ccccc3c(=O)[nH]2)s1.
What is the InChIKey of 1-(4-oxo-3H-quinazolin-2-yl)ethyl 5-methylthiophene-2-carboxylate?
The InChIKey is FHJWZBJUZHZZFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O3S/c1-9-7-8-13(22-9)16(20)21-10(2)14-17-12-6-4-3-5-11(12)15(19)18-14/h3-8,10H,1-2H3,(H,17,18,19).
What are the key properties of 1-(4-oxo-3H-quinazolin-2-yl)ethyl 5-methylthiophene-2-carboxylate?
1-(4-oxo-3H-quinazolin-2-yl)ethyl 5-methylthiophene-2-carboxylate has a molecular weight of 314.37 g/mol, XLogP of 3.21, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-oxo-3H-quinazolin-2-yl)ethyl 5-methylthiophene-2-carboxylate is sourced from PubChem (CID 135665500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).