ethyl (2S)-2-(3-methoxy-4-oxoquinazolin-2-yl)sulfanylpropanoate

C14H16N2O4S — CID 942363

IUPACethyl (2S)-2-(3-methoxy-4-oxoquinazolin-2-yl)sulfanylpropanoate
SMILESCCOC(=O)[C@H](C)Sc1nc2ccccc2c(=O)n1OC
InChIInChI=1S/C14H16N2O4S/c1-4-20-13(18)9(2)21-14-15-11-8-6-5-7-10(11)12(17)16(14)19-3/h5-9H,4H2,1-3H3/t9-/m0/s1
InChIKeyWAZCXVSDYVKRFF-VIFPVBQESA-N
MW308.36 g/mol
LogP1.50
Rot. Bonds5

About ethyl (2S)-2-(3-methoxy-4-oxoquinazolin-2-yl)sulfanylpropanoate

ethyl (2S)-2-(3-methoxy-4-oxoquinazolin-2-yl)sulfanylpropanoate (PubChem CID 942363) has the molecular formula C14H16N2O4S and a molecular weight of 308.36 g/mol. Its IUPAC name is ethyl (2S)-2-(3-methoxy-4-oxoquinazolin-2-yl)sulfanylpropanoate.

Molecular Properties

Compound Nameethyl (2S)-2-(3-methoxy-4-oxoquinazolin-2-yl)sulfanylpropanoate
PubChem CID942363
Molecular FormulaC14H16N2O4S
Molecular Weight308.36 g/mol
Exact Mass308.08
IUPAC Nameethyl (2S)-2-(3-methoxy-4-oxoquinazolin-2-yl)sulfanylpropanoate
SMILESCCOC(=O)[C@H](C)Sc1nc2ccccc2c(=O)n1OC
InChIInChI=1S/C14H16N2O4S/c1-4-20-13(18)9(2)21-14-15-11-8-6-5-7-10(11)12(17)16(14)19-3/h5-9H,4H2,1-3H3/t9-/m0/s1
InChIKeyWAZCXVSDYVKRFF-VIFPVBQESA-N
XLogP1.50
TPSA70.42 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.36
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze ethyl (2S)-2-(3-methoxy-4-oxoquinazolin-2-yl)sulfanylpropanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-methoxy-2-propan-2-ylsulfanylquinazolin-4-one
CID 938390
ethyl (2S)-2-(3-benzyl-4-oxoquinazolin-2-yl)sulfanylpropanoate
CID 1414598
ethyl 2-(3-benzyl-4-oxoquinazolin-2-yl)sulfanylpropanoate
CID 2946564
ethyl (2R)-2-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylpropanoate
CID 2065525
N,N-diethyl-2-(3-methoxy-4-oxoquinazolin-2-yl)sulfanylacetamide
CID 664383
diethyl 2-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]sulfanylpropanedioate
CID 3783114
ethyl (2R)-2-(6-iodo-4-oxo-3-phenylquinazolin-2-yl)sulfanylpropanoate
CID 27137096
ethyl (2S)-2-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]sulfanyl-2-phenylacetate
CID 9360454
(2S)-2-(3-methyl-4-oxoquinazolin-2-yl)sulfanylpropanoic acid
CID 10539544
(2S)-2-(4-oxo-3-propan-2-ylquinazolin-2-yl)sulfanylpropanamide
CID 7427800
2-(4-oxo-3-propan-2-yloxyquinazolin-2-yl)sulfanylacetamide
CID 938997
2-[(2S)-3-oxopentan-2-yl]sulfanyl-3-phenylquinazolin-4-one
CID 7390011

Frequently Asked Questions

What is the IUPAC name of ethyl (2S)-2-(3-methoxy-4-oxoquinazolin-2-yl)sulfanylpropanoate?
The IUPAC name of ethyl (2S)-2-(3-methoxy-4-oxoquinazolin-2-yl)sulfanylpropanoate (CID 942363) is ethyl (2S)-2-(3-methoxy-4-oxoquinazolin-2-yl)sulfanylpropanoate.
What is the SMILES notation for ethyl (2S)-2-(3-methoxy-4-oxoquinazolin-2-yl)sulfanylpropanoate?
The canonical SMILES for ethyl (2S)-2-(3-methoxy-4-oxoquinazolin-2-yl)sulfanylpropanoate is CCOC(=O)[C@H](C)Sc1nc2ccccc2c(=O)n1OC.
What is the InChIKey of ethyl (2S)-2-(3-methoxy-4-oxoquinazolin-2-yl)sulfanylpropanoate?
The InChIKey is WAZCXVSDYVKRFF-VIFPVBQESA-N. The full InChI is InChI=1S/C14H16N2O4S/c1-4-20-13(18)9(2)21-14-15-11-8-6-5-7-10(11)12(17)16(14)19-3/h5-9H,4H2,1-3H3/t9-/m0/s1.
What are the key properties of ethyl (2S)-2-(3-methoxy-4-oxoquinazolin-2-yl)sulfanylpropanoate?
ethyl (2S)-2-(3-methoxy-4-oxoquinazolin-2-yl)sulfanylpropanoate has a molecular weight of 308.36 g/mol, XLogP of 1.50, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2S)-2-(3-methoxy-4-oxoquinazolin-2-yl)sulfanylpropanoate is sourced from PubChem (CID 942363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).