methyl 2-[1-(quinazolin-2-ylsulfanylmethyl)cyclopropyl]acetate

C15H16N2O2S — CID 107777058

IUPACmethyl 2-[1-(quinazolin-2-ylsulfanylmethyl)cyclopropyl]acetate
SMILESCOC(=O)CC1(CSc2ncc3ccccc3n2)CC1
InChIInChI=1S/C15H16N2O2S/c1-19-13(18)8-15(6-7-15)10-20-14-16-9-11-4-2-3-5-12(11)17-14/h2-5,9H,6-8,10H2,1H3
InChIKeyLMZPMUMYBPCIAB-UHFFFAOYSA-N
MW288.37 g/mol
LogP3.07
Rot. Bonds5

About methyl 2-[1-(quinazolin-2-ylsulfanylmethyl)cyclopropyl]acetate

methyl 2-[1-(quinazolin-2-ylsulfanylmethyl)cyclopropyl]acetate (PubChem CID 107777058) has the molecular formula C15H16N2O2S and a molecular weight of 288.37 g/mol. Its IUPAC name is methyl 2-[1-(quinazolin-2-ylsulfanylmethyl)cyclopropyl]acetate.

Molecular Properties

Compound Namemethyl 2-[1-(quinazolin-2-ylsulfanylmethyl)cyclopropyl]acetate
PubChem CID107777058
Molecular FormulaC15H16N2O2S
Molecular Weight288.37 g/mol
Exact Mass288.09
IUPAC Namemethyl 2-[1-(quinazolin-2-ylsulfanylmethyl)cyclopropyl]acetate
SMILESCOC(=O)CC1(CSc2ncc3ccccc3n2)CC1
InChIInChI=1S/C15H16N2O2S/c1-19-13(18)8-15(6-7-15)10-20-14-16-9-11-4-2-3-5-12(11)17-14/h2-5,9H,6-8,10H2,1H3
InChIKeyLMZPMUMYBPCIAB-UHFFFAOYSA-N
XLogP3.07
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[1-(quinazolin-2-ylsulfanylmethyl)cyclopropyl]acetate?
The IUPAC name of methyl 2-[1-(quinazolin-2-ylsulfanylmethyl)cyclopropyl]acetate (CID 107777058) is methyl 2-[1-(quinazolin-2-ylsulfanylmethyl)cyclopropyl]acetate.
What is the SMILES notation for methyl 2-[1-(quinazolin-2-ylsulfanylmethyl)cyclopropyl]acetate?
The canonical SMILES for methyl 2-[1-(quinazolin-2-ylsulfanylmethyl)cyclopropyl]acetate is COC(=O)CC1(CSc2ncc3ccccc3n2)CC1.
What is the InChIKey of methyl 2-[1-(quinazolin-2-ylsulfanylmethyl)cyclopropyl]acetate?
The InChIKey is LMZPMUMYBPCIAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2S/c1-19-13(18)8-15(6-7-15)10-20-14-16-9-11-4-2-3-5-12(11)17-14/h2-5,9H,6-8,10H2,1H3.
What are the key properties of methyl 2-[1-(quinazolin-2-ylsulfanylmethyl)cyclopropyl]acetate?
methyl 2-[1-(quinazolin-2-ylsulfanylmethyl)cyclopropyl]acetate has a molecular weight of 288.37 g/mol, XLogP of 3.07, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[1-(quinazolin-2-ylsulfanylmethyl)cyclopropyl]acetate is sourced from PubChem (CID 107777058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).