2-methyl-6-methylsulfonyl-3H-quinazolin-4-one

C10H10N2O3S — CID 137009985

IUPAC2-methyl-6-methylsulfonyl-3H-quinazolin-4-one
SMILESCc1nc2ccc(S(C)(=O)=O)cc2c(=O)[nH]1
InChIInChI=1S/C10H10N2O3S/c1-6-11-9-4-3-7(16(2,14)15)5-8(9)10(13)12-6/h3-5H,1-2H3,(H,11,12,13)
InChIKeyGSLAYELLCANXLH-UHFFFAOYSA-N
MW238.27 g/mol
LogP0.64
Rot. Bonds1

About 2-methyl-6-methylsulfonyl-3H-quinazolin-4-one

2-methyl-6-methylsulfonyl-3H-quinazolin-4-one (PubChem CID 137009985) has the molecular formula C10H10N2O3S and a molecular weight of 238.27 g/mol. Its IUPAC name is 2-methyl-6-methylsulfonyl-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-methyl-6-methylsulfonyl-3H-quinazolin-4-one
PubChem CID137009985
Molecular FormulaC10H10N2O3S
Molecular Weight238.27 g/mol
Exact Mass238.04
IUPAC Name2-methyl-6-methylsulfonyl-3H-quinazolin-4-one
SMILESCc1nc2ccc(S(C)(=O)=O)cc2c(=O)[nH]1
InChIInChI=1S/C10H10N2O3S/c1-6-11-9-4-3-7(16(2,14)15)5-8(9)10(13)12-6/h3-5H,1-2H3,(H,11,12,13)
InChIKeyGSLAYELLCANXLH-UHFFFAOYSA-N
XLogP0.64
TPSA79.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.27
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-methylsulfonyl-3H-quinazolin-4-one?
The IUPAC name of 2-methyl-6-methylsulfonyl-3H-quinazolin-4-one (CID 137009985) is 2-methyl-6-methylsulfonyl-3H-quinazolin-4-one.
What is the SMILES notation for 2-methyl-6-methylsulfonyl-3H-quinazolin-4-one?
The canonical SMILES for 2-methyl-6-methylsulfonyl-3H-quinazolin-4-one is Cc1nc2ccc(S(C)(=O)=O)cc2c(=O)[nH]1.
What is the InChIKey of 2-methyl-6-methylsulfonyl-3H-quinazolin-4-one?
The InChIKey is GSLAYELLCANXLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O3S/c1-6-11-9-4-3-7(16(2,14)15)5-8(9)10(13)12-6/h3-5H,1-2H3,(H,11,12,13).
What are the key properties of 2-methyl-6-methylsulfonyl-3H-quinazolin-4-one?
2-methyl-6-methylsulfonyl-3H-quinazolin-4-one has a molecular weight of 238.27 g/mol, XLogP of 0.64, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-methylsulfonyl-3H-quinazolin-4-one is sourced from PubChem (CID 137009985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).