propan-2-yl 2-(2-ethylquinazolin-4-yl)sulfanylacetate

C15H18N2O2S — CID 1434993

IUPACpropan-2-yl 2-(2-ethylquinazolin-4-yl)sulfanylacetate
SMILESCCc1nc(SCC(=O)OC(C)C)c2ccccc2n1
InChIInChI=1S/C15H18N2O2S/c1-4-13-16-12-8-6-5-7-11(12)15(17-13)20-9-14(18)19-10(2)3/h5-8,10H,4,9H2,1-3H3
InChIKeyLCOIGHVHYKDELE-UHFFFAOYSA-N
MW290.39 g/mol
LogP3.24
Rot. Bonds5

About propan-2-yl 2-(2-ethylquinazolin-4-yl)sulfanylacetate

propan-2-yl 2-(2-ethylquinazolin-4-yl)sulfanylacetate (PubChem CID 1434993) has the molecular formula C15H18N2O2S and a molecular weight of 290.39 g/mol. Its IUPAC name is propan-2-yl 2-(2-ethylquinazolin-4-yl)sulfanylacetate.

Molecular Properties

Compound Namepropan-2-yl 2-(2-ethylquinazolin-4-yl)sulfanylacetate
PubChem CID1434993
Molecular FormulaC15H18N2O2S
Molecular Weight290.39 g/mol
Exact Mass290.11
IUPAC Namepropan-2-yl 2-(2-ethylquinazolin-4-yl)sulfanylacetate
SMILESCCc1nc(SCC(=O)OC(C)C)c2ccccc2n1
InChIInChI=1S/C15H18N2O2S/c1-4-13-16-12-8-6-5-7-11(12)15(17-13)20-9-14(18)19-10(2)3/h5-8,10H,4,9H2,1-3H3
InChIKeyLCOIGHVHYKDELE-UHFFFAOYSA-N
XLogP3.24
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-(2-ethylquinazolin-4-yl)sulfanylacetate?
The IUPAC name of propan-2-yl 2-(2-ethylquinazolin-4-yl)sulfanylacetate (CID 1434993) is propan-2-yl 2-(2-ethylquinazolin-4-yl)sulfanylacetate.
What is the SMILES notation for propan-2-yl 2-(2-ethylquinazolin-4-yl)sulfanylacetate?
The canonical SMILES for propan-2-yl 2-(2-ethylquinazolin-4-yl)sulfanylacetate is CCc1nc(SCC(=O)OC(C)C)c2ccccc2n1.
What is the InChIKey of propan-2-yl 2-(2-ethylquinazolin-4-yl)sulfanylacetate?
The InChIKey is LCOIGHVHYKDELE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2S/c1-4-13-16-12-8-6-5-7-11(12)15(17-13)20-9-14(18)19-10(2)3/h5-8,10H,4,9H2,1-3H3.
What are the key properties of propan-2-yl 2-(2-ethylquinazolin-4-yl)sulfanylacetate?
propan-2-yl 2-(2-ethylquinazolin-4-yl)sulfanylacetate has a molecular weight of 290.39 g/mol, XLogP of 3.24, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-(2-ethylquinazolin-4-yl)sulfanylacetate is sourced from PubChem (CID 1434993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).