ethyl 3-(4,6-dimethylquinazolin-2-yl)sulfanylpropanoate

C15H18N2O2S — CID 4140223

IUPACethyl 3-(4,6-dimethylquinazolin-2-yl)sulfanylpropanoate
SMILESCCOC(=O)CCSc1nc(C)c2cc(C)ccc2n1
InChIInChI=1S/C15H18N2O2S/c1-4-19-14(18)7-8-20-15-16-11(3)12-9-10(2)5-6-13(12)17-15/h5-6,9H,4,7-8H2,1-3H3
InChIKeyAZBLXNADLGOLFO-UHFFFAOYSA-N
MW290.39 g/mol
LogP3.29
Rot. Bonds5

About ethyl 3-(4,6-dimethylquinazolin-2-yl)sulfanylpropanoate

ethyl 3-(4,6-dimethylquinazolin-2-yl)sulfanylpropanoate (PubChem CID 4140223) has the molecular formula C15H18N2O2S and a molecular weight of 290.39 g/mol. Its IUPAC name is ethyl 3-(4,6-dimethylquinazolin-2-yl)sulfanylpropanoate.

Molecular Properties

Compound Nameethyl 3-(4,6-dimethylquinazolin-2-yl)sulfanylpropanoate
PubChem CID4140223
Molecular FormulaC15H18N2O2S
Molecular Weight290.39 g/mol
Exact Mass290.11
IUPAC Nameethyl 3-(4,6-dimethylquinazolin-2-yl)sulfanylpropanoate
SMILESCCOC(=O)CCSc1nc(C)c2cc(C)ccc2n1
InChIInChI=1S/C15H18N2O2S/c1-4-19-14(18)7-8-20-15-16-11(3)12-9-10(2)5-6-13(12)17-15/h5-6,9H,4,7-8H2,1-3H3
InChIKeyAZBLXNADLGOLFO-UHFFFAOYSA-N
XLogP3.29
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 ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-Ethoxy-6-methyl-4-phenylquinazoline
CID 742337
Isopropyl 2-[(2-benzylquinazolin-4-YL)sulfanyl]acetate
CID 1442567
3-(2-Methylquinazolin-4-yl)sulfanylpropanoic acid
CID 588806
(4,6,7-Trimethyl-quinazolin-2-ylsulfanyl)-acetic acid ethyl ester
CID 695284
Acetic acid, ((4-methyl-6-phenyl-2-pyrimidinyl)thio)-
CID 612222
(2-Cyclopropyl-quinazolin-4-ylsulfanyl)-acetic acid ethyl ester
CID 644454
(2-Isopropyl-quinazolin-4-ylsulfanyl)-acetic acid methyl ester
CID 652110
(2-Ethyl-quinazolin-4-ylsulfanyl)-acetic acid ethyl ester
CID 654420
3-(4,6,8-Trimethyl-quinazolin-2-ylsulfanyl)-propionitrile
CID 659065
4,6,8-Trimethyl-2-(phenethylthio)quinazoline
CID 712225
[(4,6-Dimethyl-2-quinazolinyl)thio]acetic acid
CID 752288
Methyl 2-((2-phenylquinazolin-4-yl)thio)acetate
CID 865071

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(4,6-dimethylquinazolin-2-yl)sulfanylpropanoate?
The IUPAC name of ethyl 3-(4,6-dimethylquinazolin-2-yl)sulfanylpropanoate (CID 4140223) is ethyl 3-(4,6-dimethylquinazolin-2-yl)sulfanylpropanoate.
What is the SMILES notation for ethyl 3-(4,6-dimethylquinazolin-2-yl)sulfanylpropanoate?
The canonical SMILES for ethyl 3-(4,6-dimethylquinazolin-2-yl)sulfanylpropanoate is CCOC(=O)CCSc1nc(C)c2cc(C)ccc2n1.
What is the InChIKey of ethyl 3-(4,6-dimethylquinazolin-2-yl)sulfanylpropanoate?
The InChIKey is AZBLXNADLGOLFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2S/c1-4-19-14(18)7-8-20-15-16-11(3)12-9-10(2)5-6-13(12)17-15/h5-6,9H,4,7-8H2,1-3H3.
What are the key properties of ethyl 3-(4,6-dimethylquinazolin-2-yl)sulfanylpropanoate?
ethyl 3-(4,6-dimethylquinazolin-2-yl)sulfanylpropanoate has a molecular weight of 290.39 g/mol, XLogP of 3.29, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(4,6-dimethylquinazolin-2-yl)sulfanylpropanoate is sourced from PubChem (CID 4140223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).