2-(2-methylsulfanyl-4-oxoquinazolin-3-yl)acetic acid

C11H10N2O3S — CID 94075132

IUPAC2-(2-methylsulfanyl-4-oxoquinazolin-3-yl)acetic acid
SMILESCSc1nc2ccccc2c(=O)n1CC(=O)O
InChIInChI=1S/C11H10N2O3S/c1-17-11-12-8-5-3-2-4-7(8)10(16)13(11)6-9(14)15/h2-5H,6H2,1H3,(H,14,15)
InChIKeyUVZIUPGLQGHBME-UHFFFAOYSA-N
MW250.28 g/mol
LogP1.20
Rot. Bonds3

About 2-(2-methylsulfanyl-4-oxoquinazolin-3-yl)acetic acid

2-(2-methylsulfanyl-4-oxoquinazolin-3-yl)acetic acid (PubChem CID 94075132) has the molecular formula C11H10N2O3S and a molecular weight of 250.28 g/mol. Its IUPAC name is 2-(2-methylsulfanyl-4-oxoquinazolin-3-yl)acetic acid.

Molecular Properties

Compound Name2-(2-methylsulfanyl-4-oxoquinazolin-3-yl)acetic acid
PubChem CID94075132
Molecular FormulaC11H10N2O3S
Molecular Weight250.28 g/mol
Exact Mass250.04
IUPAC Name2-(2-methylsulfanyl-4-oxoquinazolin-3-yl)acetic acid
SMILESCSc1nc2ccccc2c(=O)n1CC(=O)O
InChIInChI=1S/C11H10N2O3S/c1-17-11-12-8-5-3-2-4-7(8)10(16)13(11)6-9(14)15/h2-5H,6H2,1H3,(H,14,15)
InChIKeyUVZIUPGLQGHBME-UHFFFAOYSA-N
XLogP1.20
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.28
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[2-(4-bromophenyl)-2-oxoethyl]-2-methylsulfanylquinazolin-4-one
CID 15626519
methyl 3-(2-methylsulfanyl-4-oxoquinazolin-3-yl)propanoate
CID 9066303
3-(3-methylbutyl)-2-methylsulfanylquinazolin-4-one
CID 84603727
2-[3-(2-methoxy-2-oxoethyl)-4-oxoquinazolin-2-yl]sulfanylacetic acid
CID 14721779
trimethyl-[3-(2-methylsulfanyl-4-oxoquinazolin-3-yl)propyl]azanium
CID 57331409
2-[3-(2-methylprop-2-enyl)-4-oxoquinazolin-2-yl]sulfanyl-N-phenylacetamide
CID 6489117
2-(2-methyl-4-oxoquinazolin-3-yl)acetate
CID 6971388
2-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetic acid
CID 1071935
2-(2-propylsulfanylbenzimidazol-1-yl)acetic acid
CID 2772432
3-(4-methoxyphenyl)-2-methylsulfanylquinazolin-4-one
CID 659793
2-[(2-methyl-4-oxoquinazolin-3-yl)methylsulfanyl]propanoic acid
CID 21004528
2-(3,6-dimethyl-2-methylsulfanyl-4-oxopyrrolo[3,2-d]pyrimidin-5-yl)acetic acid
CID 95916421

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylsulfanyl-4-oxoquinazolin-3-yl)acetic acid?
The IUPAC name of 2-(2-methylsulfanyl-4-oxoquinazolin-3-yl)acetic acid (CID 94075132) is 2-(2-methylsulfanyl-4-oxoquinazolin-3-yl)acetic acid.
What is the SMILES notation for 2-(2-methylsulfanyl-4-oxoquinazolin-3-yl)acetic acid?
The canonical SMILES for 2-(2-methylsulfanyl-4-oxoquinazolin-3-yl)acetic acid is CSc1nc2ccccc2c(=O)n1CC(=O)O.
What is the InChIKey of 2-(2-methylsulfanyl-4-oxoquinazolin-3-yl)acetic acid?
The InChIKey is UVZIUPGLQGHBME-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O3S/c1-17-11-12-8-5-3-2-4-7(8)10(16)13(11)6-9(14)15/h2-5H,6H2,1H3,(H,14,15).
What are the key properties of 2-(2-methylsulfanyl-4-oxoquinazolin-3-yl)acetic acid?
2-(2-methylsulfanyl-4-oxoquinazolin-3-yl)acetic acid has a molecular weight of 250.28 g/mol, XLogP of 1.20, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylsulfanyl-4-oxoquinazolin-3-yl)acetic acid is sourced from PubChem (CID 94075132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).