3-methyl-2-(1-methylsulfonylpyrrolidin-2-yl)quinazolin-4-one

C14H17N3O3S — CID 126949306

IUPAC3-methyl-2-(1-methylsulfonylpyrrolidin-2-yl)quinazolin-4-one
SMILESCn1c(C2CCCN2S(C)(=O)=O)nc2ccccc2c1=O
InChIInChI=1S/C14H17N3O3S/c1-16-13(12-8-5-9-17(12)21(2,19)20)15-11-7-4-3-6-10(11)14(16)18/h3-4,6-7,12H,5,8-9H2,1-2H3
InChIKeyDKRYIPLROIQMRZ-UHFFFAOYSA-N
MW307.37 g/mol
LogP1.03
Rot. Bonds2

About 3-methyl-2-(1-methylsulfonylpyrrolidin-2-yl)quinazolin-4-one

3-methyl-2-(1-methylsulfonylpyrrolidin-2-yl)quinazolin-4-one (PubChem CID 126949306) has the molecular formula C14H17N3O3S and a molecular weight of 307.37 g/mol. Its IUPAC name is 3-methyl-2-(1-methylsulfonylpyrrolidin-2-yl)quinazolin-4-one.

Molecular Properties

Compound Name3-methyl-2-(1-methylsulfonylpyrrolidin-2-yl)quinazolin-4-one
PubChem CID126949306
Molecular FormulaC14H17N3O3S
Molecular Weight307.37 g/mol
Exact Mass307.10
IUPAC Name3-methyl-2-(1-methylsulfonylpyrrolidin-2-yl)quinazolin-4-one
SMILESCn1c(C2CCCN2S(C)(=O)=O)nc2ccccc2c1=O
InChIInChI=1S/C14H17N3O3S/c1-16-13(12-8-5-9-17(12)21(2,19)20)15-11-7-4-3-6-10(11)14(16)18/h3-4,6-7,12H,5,8-9H2,1-2H3
InChIKeyDKRYIPLROIQMRZ-UHFFFAOYSA-N
XLogP1.03
TPSA72.27 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.37
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-methyl-2-[(2S)-1-methylsulfonylpiperidin-2-yl]benzimidazole
CID 94179592
3-methyl-2-[1-(3-methylpyrazin-2-yl)pyrrolidin-2-yl]quinazolin-4-one
CID 126949394
6-[2-(3-methyl-4-oxoquinazolin-2-yl)pyrrolidin-1-yl]sulfonyl-3H-1,3-benzoxazol-2-one
CID 126949409
3-methyl-2-[1-(6-methylpyrazin-2-yl)pyrrolidin-2-yl]quinazolin-4-one
CID 126949401
2-[1-(5-fluoropyrimidin-2-yl)pyrrolidin-2-yl]-3-methylquinazolin-4-one
CID 126949331
3-methyl-2-[1-(1-methyltriazole-4-carbonyl)pyrrolidin-2-yl]quinazolin-4-one
CID 126949236
3-methyl-2-[1-[(1-methyl-6-oxopyrimidin-2-yl)methyl]pyrrolidin-2-yl]quinazolin-4-one
CID 126949440
3-methyl-2-[1-(1,2-oxazol-3-ylmethyl)pyrrolidin-2-yl]quinazolin-4-one
CID 126949519
3-methyl-2-[1-[(1-methyl-6-oxo-2-pyridinyl)methyl]pyrrolidin-2-yl]quinazolin-4-one
CID 126949438
3-methyl-2-[1-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-2-yl]quinazolin-4-one
CID 126949567
3-methyl-2-[1-[(1-methyl-6-oxo-3-pyridinyl)methyl]pyrrolidin-2-yl]quinazolin-4-one
CID 126949462
3-methyl-2-[1-[(2-methylpyrimidin-5-yl)methyl]pyrrolidin-2-yl]quinazolin-4-one
CID 126949452

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-(1-methylsulfonylpyrrolidin-2-yl)quinazolin-4-one?
The IUPAC name of 3-methyl-2-(1-methylsulfonylpyrrolidin-2-yl)quinazolin-4-one (CID 126949306) is 3-methyl-2-(1-methylsulfonylpyrrolidin-2-yl)quinazolin-4-one.
What is the SMILES notation for 3-methyl-2-(1-methylsulfonylpyrrolidin-2-yl)quinazolin-4-one?
The canonical SMILES for 3-methyl-2-(1-methylsulfonylpyrrolidin-2-yl)quinazolin-4-one is Cn1c(C2CCCN2S(C)(=O)=O)nc2ccccc2c1=O.
What is the InChIKey of 3-methyl-2-(1-methylsulfonylpyrrolidin-2-yl)quinazolin-4-one?
The InChIKey is DKRYIPLROIQMRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3S/c1-16-13(12-8-5-9-17(12)21(2,19)20)15-11-7-4-3-6-10(11)14(16)18/h3-4,6-7,12H,5,8-9H2,1-2H3.
What are the key properties of 3-methyl-2-(1-methylsulfonylpyrrolidin-2-yl)quinazolin-4-one?
3-methyl-2-(1-methylsulfonylpyrrolidin-2-yl)quinazolin-4-one has a molecular weight of 307.37 g/mol, XLogP of 1.03, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-(1-methylsulfonylpyrrolidin-2-yl)quinazolin-4-one is sourced from PubChem (CID 126949306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).