2-(6,8-dichloro-3-methyl-4-oxoquinazolin-2-yl)sulfanylacetate

C11H7Cl2N2O3S- — CID 7174436

IUPAC2-(6,8-dichloro-3-methyl-4-oxoquinazolin-2-yl)sulfanylacetate
SMILESCn1c(SCC(=O)[O-])nc2c(Cl)cc(Cl)cc2c1=O
InChIInChI=1S/C11H8Cl2N2O3S/c1-15-10(18)6-2-5(12)3-7(13)9(6)14-11(15)19-4-8(16)17/h2-3H,4H2,1H3,(H,16,17)/p-1
InChIKeyODELGGDXVAUUBT-UHFFFAOYSA-M
MW318.16 g/mol
LogP1.08
Rot. Bonds3

About 2-(6,8-dichloro-3-methyl-4-oxoquinazolin-2-yl)sulfanylacetate

2-(6,8-dichloro-3-methyl-4-oxoquinazolin-2-yl)sulfanylacetate (PubChem CID 7174436) has the molecular formula C11H7Cl2N2O3S- and a molecular weight of 318.16 g/mol. Its IUPAC name is 2-(6,8-dichloro-3-methyl-4-oxoquinazolin-2-yl)sulfanylacetate.

Molecular Properties

Compound Name2-(6,8-dichloro-3-methyl-4-oxoquinazolin-2-yl)sulfanylacetate
PubChem CID7174436
Molecular FormulaC11H7Cl2N2O3S-
Molecular Weight318.16 g/mol
Exact Mass316.96
IUPAC Name2-(6,8-dichloro-3-methyl-4-oxoquinazolin-2-yl)sulfanylacetate
SMILESCn1c(SCC(=O)[O-])nc2c(Cl)cc(Cl)cc2c1=O
InChIInChI=1S/C11H8Cl2N2O3S/c1-15-10(18)6-2-5(12)3-7(13)9(6)14-11(15)19-4-8(16)17/h2-3H,4H2,1H3,(H,16,17)/p-1
InChIKeyODELGGDXVAUUBT-UHFFFAOYSA-M
XLogP1.08
TPSA75.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.16
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(7-chloro-3-methyl-4-oxoquinazolin-2-yl)sulfanylacetate
CID 7174444
2-(3-methyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(2,4,6-trichlorophenyl)acetamide
CID 35772750
2,6,8-trichloro-3-propylquinazolin-4-one
CID 170900735
2-(6,8-dibromo-3-ethyl-4-oxoquinazolin-2-yl)sulfanylacetate
CID 7174426
2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-3,6-dimethylthieno[2,3-d]pyrimidin-4-one
CID 6488838
6,8-dibromo-3-methyl-2-prop-2-enylsulfanylquinazolin-4-one
CID 121001925
2-(3,5,6-trimethyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanylacetate
CID 6955930
2-(6,8-dichloro-4-oxo-1,2,3-benzotriazin-3-yl)acetic acid
CID 13442358
5,7-dichloro-2-methyl-1H-pyrazolo[5,1-b]quinazolin-9-one
CID 165354598
2-(6,8-dichloro-2-methylquinolin-4-yl)acetic acid
CID 82449379
2-[2-(2,5-dichlorothiophen-3-yl)-2-oxoethyl]sulfanyl-3-methylquinazolin-4-one
CID 27241325
6,8-dichloro-2-ethyl-3-methylquinoline-4-carboxylic acid
CID 60984819

Frequently Asked Questions

What is the IUPAC name of 2-(6,8-dichloro-3-methyl-4-oxoquinazolin-2-yl)sulfanylacetate?
The IUPAC name of 2-(6,8-dichloro-3-methyl-4-oxoquinazolin-2-yl)sulfanylacetate (CID 7174436) is 2-(6,8-dichloro-3-methyl-4-oxoquinazolin-2-yl)sulfanylacetate.
What is the SMILES notation for 2-(6,8-dichloro-3-methyl-4-oxoquinazolin-2-yl)sulfanylacetate?
The canonical SMILES for 2-(6,8-dichloro-3-methyl-4-oxoquinazolin-2-yl)sulfanylacetate is Cn1c(SCC(=O)[O-])nc2c(Cl)cc(Cl)cc2c1=O.
What is the InChIKey of 2-(6,8-dichloro-3-methyl-4-oxoquinazolin-2-yl)sulfanylacetate?
The InChIKey is ODELGGDXVAUUBT-UHFFFAOYSA-M. The full InChI is InChI=1S/C11H8Cl2N2O3S/c1-15-10(18)6-2-5(12)3-7(13)9(6)14-11(15)19-4-8(16)17/h2-3H,4H2,1H3,(H,16,17)/p-1.
What are the key properties of 2-(6,8-dichloro-3-methyl-4-oxoquinazolin-2-yl)sulfanylacetate?
2-(6,8-dichloro-3-methyl-4-oxoquinazolin-2-yl)sulfanylacetate has a molecular weight of 318.16 g/mol, XLogP of 1.08, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6,8-dichloro-3-methyl-4-oxoquinazolin-2-yl)sulfanylacetate is sourced from PubChem (CID 7174436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).