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

C17H15N3O4S — CID 135797197

IUPAC[(1S)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] 2-(thiophene-2-carbonylamino)acetate
SMILESC[C@H](OC(=O)CNC(=O)c1cccs1)c1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C17H15N3O4S/c1-10(15-19-12-6-3-2-5-11(12)16(22)20-15)24-14(21)9-18-17(23)13-7-4-8-25-13/h2-8,10H,9H2,1H3,(H,18,23)(H,19,20,22)/t10-/m0/s1
InChIKeyFRCNGJSXIOBQAC-JTQLQIEISA-N
MW357.39 g/mol
LogP2.02
Rot. Bonds5

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

[(1S)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] 2-(thiophene-2-carbonylamino)acetate (PubChem CID 135797197) has the molecular formula C17H15N3O4S and a molecular weight of 357.39 g/mol. Its IUPAC name is [(1S)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] 2-(thiophene-2-carbonylamino)acetate.

Molecular Properties

Compound Name[(1S)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] 2-(thiophene-2-carbonylamino)acetate
PubChem CID135797197
Molecular FormulaC17H15N3O4S
Molecular Weight357.39 g/mol
Exact Mass357.08
IUPAC Name[(1S)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] 2-(thiophene-2-carbonylamino)acetate
SMILESC[C@H](OC(=O)CNC(=O)c1cccs1)c1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C17H15N3O4S/c1-10(15-19-12-6-3-2-5-11(12)16(22)20-15)24-14(21)9-18-17(23)13-7-4-8-25-13/h2-8,10H,9H2,1H3,(H,18,23)(H,19,20,22)/t10-/m0/s1
InChIKeyFRCNGJSXIOBQAC-JTQLQIEISA-N
XLogP2.02
TPSA101.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.39
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[(1S)-1-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)ethyl] 2-(thiophene-2-carbonylamino)acetate
CID 7956660
[(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] 2-phenylacetate
CID 135840683
[(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] (E)-3-thiophen-2-ylprop-2-enoate
CID 135797192
[(1S)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] 4-methylpentanoate
CID 135784464
[(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] 2-phenoxyacetate
CID 135582860
[(1S)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] (3S)-3-phenylbutanoate
CID 135831951
4-oxo-N-[3-(thiophene-2-carbonylamino)propyl]-3H-quinazoline-2-carboxamide
CID 135629197
[(1S)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] 2-(4-phenylphenyl)acetate
CID 135745593
[(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] 3-phenoxypropanoate
CID 135819391
[(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] 4-phenoxybutanoate
CID 135816774
1-(4-oxo-3H-quinazolin-2-yl)ethyl 5-methylthiophene-2-carboxylate
CID 135665500
[(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] 2-(2-methylphenoxy)acetate
CID 135797209

Frequently Asked Questions

What is the IUPAC name of [(1S)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] 2-(thiophene-2-carbonylamino)acetate?
The IUPAC name of [(1S)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] 2-(thiophene-2-carbonylamino)acetate (CID 135797197) is [(1S)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] 2-(thiophene-2-carbonylamino)acetate.
What is the SMILES notation for [(1S)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] 2-(thiophene-2-carbonylamino)acetate?
The canonical SMILES for [(1S)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] 2-(thiophene-2-carbonylamino)acetate is C[C@H](OC(=O)CNC(=O)c1cccs1)c1nc2ccccc2c(=O)[nH]1.
What is the InChIKey of [(1S)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] 2-(thiophene-2-carbonylamino)acetate?
The InChIKey is FRCNGJSXIOBQAC-JTQLQIEISA-N. The full InChI is InChI=1S/C17H15N3O4S/c1-10(15-19-12-6-3-2-5-11(12)16(22)20-15)24-14(21)9-18-17(23)13-7-4-8-25-13/h2-8,10H,9H2,1H3,(H,18,23)(H,19,20,22)/t10-/m0/s1.
What are the key properties of [(1S)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] 2-(thiophene-2-carbonylamino)acetate?
[(1S)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] 2-(thiophene-2-carbonylamino)acetate has a molecular weight of 357.39 g/mol, XLogP of 2.02, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] 2-(thiophene-2-carbonylamino)acetate is sourced from PubChem (CID 135797197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).