ethyl 2-(2-cyclopropylquinazolin-4-yl)sulfanylacetate

C15H16N2O2S — CID 644454

IUPACethyl 2-(2-cyclopropylquinazolin-4-yl)sulfanylacetate
SMILESCCOC(=O)CSc1nc(C2CC2)nc2ccccc12
InChIInChI=1S/C15H16N2O2S/c1-2-19-13(18)9-20-15-11-5-3-4-6-12(11)16-14(17-15)10-7-8-10/h3-6,10H,2,7-9H2,1H3
InChIKeyLZUVZBWJBCYLMS-UHFFFAOYSA-N
MW288.37 g/mol
LogP3.16
Rot. Bonds5

About ethyl 2-(2-cyclopropylquinazolin-4-yl)sulfanylacetate

ethyl 2-(2-cyclopropylquinazolin-4-yl)sulfanylacetate (PubChem CID 644454) has the molecular formula C15H16N2O2S and a molecular weight of 288.37 g/mol. Its IUPAC name is ethyl 2-(2-cyclopropylquinazolin-4-yl)sulfanylacetate.

Molecular Properties

Compound Nameethyl 2-(2-cyclopropylquinazolin-4-yl)sulfanylacetate
PubChem CID644454
Molecular FormulaC15H16N2O2S
Molecular Weight288.37 g/mol
Exact Mass288.09
IUPAC Nameethyl 2-(2-cyclopropylquinazolin-4-yl)sulfanylacetate
SMILESCCOC(=O)CSc1nc(C2CC2)nc2ccccc12
InChIInChI=1S/C15H16N2O2S/c1-2-19-13(18)9-20-15-11-5-3-4-6-12(11)16-14(17-15)10-7-8-10/h3-6,10H,2,7-9H2,1H3
InChIKeyLZUVZBWJBCYLMS-UHFFFAOYSA-N
XLogP3.16
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 ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-Cyclopropyl-quinazolin-4-ylsulfanyl)-N-m-tolyl-acetamide
CID 856981
2-(2-Cyclopropyl-quinazolin-4-ylsulfanyl)-1-(4-methyl-piperidin-1-yl)-ethanone
CID 856987
2-(2-Cyclopropylquinazolin-4-yl)sulfanyl-1-piperidin-1-ylethanone
CID 1435085
Propan-2-yl 2-(2-benzylquinazolin-4-yl)sulfanylacetate
CID 1442567
N-Cyclopentyl-2-(2-propyl-quinazolin-4-ylsulfanyl)-acetamide
CID 1442575
(2-Phenyl-quinazolin-4-ylsulfanyl)-acetonitrile
CID 3141919
N-butyl-2-(2-propylquinazolin-4-yl)sulfanylacetamide
CID 3221482
3-(2-Methylquinazolin-4-yl)sulfanylpropanoic acid
CID 588806
(4,6,7-Trimethyl-quinazolin-2-ylsulfanyl)-acetic acid ethyl ester
CID 695284
(2-Isopropyl-quinazolin-4-ylsulfanyl)-acetic acid methyl ester
CID 652110
2-(2-Ethyl-quinazolin-4-ylsulfanyl)-1-pyrrolidin-1-yl-ethanone
CID 652846
(2-Ethyl-quinazolin-4-ylsulfanyl)-acetic acid ethyl ester
CID 654420

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-cyclopropylquinazolin-4-yl)sulfanylacetate?
The IUPAC name of ethyl 2-(2-cyclopropylquinazolin-4-yl)sulfanylacetate (CID 644454) is ethyl 2-(2-cyclopropylquinazolin-4-yl)sulfanylacetate.
What is the SMILES notation for ethyl 2-(2-cyclopropylquinazolin-4-yl)sulfanylacetate?
The canonical SMILES for ethyl 2-(2-cyclopropylquinazolin-4-yl)sulfanylacetate is CCOC(=O)CSc1nc(C2CC2)nc2ccccc12.
What is the InChIKey of ethyl 2-(2-cyclopropylquinazolin-4-yl)sulfanylacetate?
The InChIKey is LZUVZBWJBCYLMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2S/c1-2-19-13(18)9-20-15-11-5-3-4-6-12(11)16-14(17-15)10-7-8-10/h3-6,10H,2,7-9H2,1H3.
What are the key properties of ethyl 2-(2-cyclopropylquinazolin-4-yl)sulfanylacetate?
ethyl 2-(2-cyclopropylquinazolin-4-yl)sulfanylacetate has a molecular weight of 288.37 g/mol, XLogP of 3.16, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-cyclopropylquinazolin-4-yl)sulfanylacetate is sourced from PubChem (CID 644454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).