methyl 3-(2-methylsulfanyl-4-oxoquinazolin-3-yl)propanoate

C13H14N2O3S — CID 9066303

IUPACmethyl 3-(2-methylsulfanyl-4-oxoquinazolin-3-yl)propanoate
SMILESCOC(=O)CCn1c(SC)nc2ccccc2c1=O
InChIInChI=1S/C13H14N2O3S/c1-18-11(16)7-8-15-12(17)9-5-3-4-6-10(9)14-13(15)19-2/h3-6H,7-8H2,1-2H3
InChIKeyQDPXKCKDEJNZTR-UHFFFAOYSA-N
MW278.33 g/mol
LogP1.68
Rot. Bonds4

About methyl 3-(2-methylsulfanyl-4-oxoquinazolin-3-yl)propanoate

methyl 3-(2-methylsulfanyl-4-oxoquinazolin-3-yl)propanoate (PubChem CID 9066303) has the molecular formula C13H14N2O3S and a molecular weight of 278.33 g/mol. Its IUPAC name is methyl 3-(2-methylsulfanyl-4-oxoquinazolin-3-yl)propanoate.

Molecular Properties

Compound Namemethyl 3-(2-methylsulfanyl-4-oxoquinazolin-3-yl)propanoate
PubChem CID9066303
Molecular FormulaC13H14N2O3S
Molecular Weight278.33 g/mol
Exact Mass278.07
IUPAC Namemethyl 3-(2-methylsulfanyl-4-oxoquinazolin-3-yl)propanoate
SMILESCOC(=O)CCn1c(SC)nc2ccccc2c1=O
InChIInChI=1S/C13H14N2O3S/c1-18-11(16)7-8-15-12(17)9-5-3-4-6-10(9)14-13(15)19-2/h3-6H,7-8H2,1-2H3
InChIKeyQDPXKCKDEJNZTR-UHFFFAOYSA-N
XLogP1.68
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.33
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl 3-(2-methylsulfanyl-4-oxoquinazolin-3-yl)propanoate 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

methyl 3-[2-(cyanomethylsulfanyl)-4-oxoquinazolin-3-yl]propanoate
CID 9066302
methyl 3-[2-[(2S)-1-amino-1-oxopropan-2-yl]sulfanyl-4-oxoquinazolin-3-yl]propanoate
CID 7644775
methyl 3-[4-oxo-2-(3-phenylpropylsulfanyl)quinazolin-3-yl]propanoate
CID 7644803
methyl 3-[2-[(2-methoxyphenyl)methylsulfanyl]-4-oxoquinazolin-3-yl]propanoate
CID 9066377
methyl 3-[2-[2-(3-fluorophenyl)-2-oxoethyl]sulfanyl-4-oxoquinazolin-3-yl]propanoate
CID 8677249
methyl 3-[2-(chloromethyl)-4-oxoquinazolin-3-yl]propanoate
CID 61295376
methyl 3-[2-[1-(2-chlorophenyl)ethylsulfanyl]-4-oxoquinazolin-3-yl]propanoate
CID 18197210
methyl 3-[4-oxo-2-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]sulfanylquinazolin-3-yl]propanoate
CID 7644757
2-(2-methylsulfanyl-4-oxoquinazolin-3-yl)acetic acid
CID 94075132
methyl 3-[4-oxo-2-[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl]sulfanylquinazolin-3-yl]propanoate
CID 9066349
methyl 3-[2-[2-(2,4-difluoroanilino)-2-oxoethyl]sulfanyl-4-oxoquinazolin-3-yl]propanoate
CID 18776453
methyl 3-[2-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanyl-4-oxoquinazolin-3-yl]propanoate
CID 7644654

Frequently Asked Questions

What is the IUPAC name of methyl 3-(2-methylsulfanyl-4-oxoquinazolin-3-yl)propanoate?
The IUPAC name of methyl 3-(2-methylsulfanyl-4-oxoquinazolin-3-yl)propanoate (CID 9066303) is methyl 3-(2-methylsulfanyl-4-oxoquinazolin-3-yl)propanoate.
What is the SMILES notation for methyl 3-(2-methylsulfanyl-4-oxoquinazolin-3-yl)propanoate?
The canonical SMILES for methyl 3-(2-methylsulfanyl-4-oxoquinazolin-3-yl)propanoate is COC(=O)CCn1c(SC)nc2ccccc2c1=O.
What is the InChIKey of methyl 3-(2-methylsulfanyl-4-oxoquinazolin-3-yl)propanoate?
The InChIKey is QDPXKCKDEJNZTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3S/c1-18-11(16)7-8-15-12(17)9-5-3-4-6-10(9)14-13(15)19-2/h3-6H,7-8H2,1-2H3.
What are the key properties of methyl 3-(2-methylsulfanyl-4-oxoquinazolin-3-yl)propanoate?
methyl 3-(2-methylsulfanyl-4-oxoquinazolin-3-yl)propanoate has a molecular weight of 278.33 g/mol, XLogP of 1.68, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(2-methylsulfanyl-4-oxoquinazolin-3-yl)propanoate is sourced from PubChem (CID 9066303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).