methyl 2-[(2-methyl-4-oxoquinazolin-3-yl)methylsulfanyl]acetate

C13H14N2O3S — CID 21004517

IUPACmethyl 2-[(2-methyl-4-oxoquinazolin-3-yl)methylsulfanyl]acetate
SMILESCOC(=O)CSCn1c(C)nc2ccccc2c1=O
InChIInChI=1S/C13H14N2O3S/c1-9-14-11-6-4-3-5-10(11)13(17)15(9)8-19-7-12(16)18-2/h3-6H,7-8H2,1-2H3
InChIKeyMWNBURBXWLAYFV-UHFFFAOYSA-N
MW278.33 g/mol
LogP1.57
Rot. Bonds4

About methyl 2-[(2-methyl-4-oxoquinazolin-3-yl)methylsulfanyl]acetate

methyl 2-[(2-methyl-4-oxoquinazolin-3-yl)methylsulfanyl]acetate (PubChem CID 21004517) has the molecular formula C13H14N2O3S and a molecular weight of 278.33 g/mol. Its IUPAC name is methyl 2-[(2-methyl-4-oxoquinazolin-3-yl)methylsulfanyl]acetate.

Molecular Properties

Compound Namemethyl 2-[(2-methyl-4-oxoquinazolin-3-yl)methylsulfanyl]acetate
PubChem CID21004517
Molecular FormulaC13H14N2O3S
Molecular Weight278.33 g/mol
Exact Mass278.07
IUPAC Namemethyl 2-[(2-methyl-4-oxoquinazolin-3-yl)methylsulfanyl]acetate
SMILESCOC(=O)CSCn1c(C)nc2ccccc2c1=O
InChIInChI=1S/C13H14N2O3S/c1-9-14-11-6-4-3-5-10(11)13(17)15(9)8-19-7-12(16)18-2/h3-6H,7-8H2,1-2H3
InChIKeyMWNBURBXWLAYFV-UHFFFAOYSA-N
XLogP1.57
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 ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(2-methyl-4-oxoquinazolin-3-yl)methylsulfanyl]propanoic acid
CID 21004528
methyl 8-[4-(2-methyl-4-oxoquinazolin-3-yl)butanoylamino]octanoate
CID 71851736
2-(2-methyl-4-oxoquinazolin-3-yl)acetate
CID 6971388
methyl 3-(2-methylsulfanyl-4-oxoquinazolin-3-yl)propanoate
CID 9066303
2-[3-(2-methoxy-2-oxoethyl)-4-oxoquinazolin-2-yl]sulfanylacetic acid
CID 14721779
N-(2-methoxyphenyl)-2-(2-methyl-4-oxoquinazolin-3-yl)acetamide
CID 860126
methyl 3-[2-(chloromethyl)-4-oxoquinazolin-3-yl]propanoate
CID 61295376
3-(2-hydroxybutyl)-2-methylquinazolin-4-one
CID 154753235
2-methyl-3-[3-(methylamino)propyl]quinazolin-4-one
CID 30370658
methyl 2-(3-anilino-4-oxoquinazolin-2-yl)sulfanylacetate
CID 17415513
methyl 2-[2-(2-methoxy-2-oxoethyl)sulfanyl-4-oxoquinazolin-3-yl]oxyacetate
CID 661998
N-benzyl-2-[[2-(2-methyl-4-oxoquinazolin-3-yl)acetyl]amino]acetamide
CID 39822353

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-methyl-4-oxoquinazolin-3-yl)methylsulfanyl]acetate?
The IUPAC name of methyl 2-[(2-methyl-4-oxoquinazolin-3-yl)methylsulfanyl]acetate (CID 21004517) is methyl 2-[(2-methyl-4-oxoquinazolin-3-yl)methylsulfanyl]acetate.
What is the SMILES notation for methyl 2-[(2-methyl-4-oxoquinazolin-3-yl)methylsulfanyl]acetate?
The canonical SMILES for methyl 2-[(2-methyl-4-oxoquinazolin-3-yl)methylsulfanyl]acetate is COC(=O)CSCn1c(C)nc2ccccc2c1=O.
What is the InChIKey of methyl 2-[(2-methyl-4-oxoquinazolin-3-yl)methylsulfanyl]acetate?
The InChIKey is MWNBURBXWLAYFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3S/c1-9-14-11-6-4-3-5-10(11)13(17)15(9)8-19-7-12(16)18-2/h3-6H,7-8H2,1-2H3.
What are the key properties of methyl 2-[(2-methyl-4-oxoquinazolin-3-yl)methylsulfanyl]acetate?
methyl 2-[(2-methyl-4-oxoquinazolin-3-yl)methylsulfanyl]acetate has a molecular weight of 278.33 g/mol, XLogP of 1.57, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-methyl-4-oxoquinazolin-3-yl)methylsulfanyl]acetate is sourced from PubChem (CID 21004517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).