6-(1-hydroxy-2-methyl-2-methylsulfonylpropyl)-3-methyl-1,4-dihydroquinazolin-2-one

C14H20N2O4S — CID 82009709

IUPAC6-(1-hydroxy-2-methyl-2-methylsulfonylpropyl)-3-methyl-1,4-dihydroquinazolin-2-one
SMILESCN1Cc2cc(C(O)C(C)(C)S(C)(=O)=O)ccc2NC1=O
InChIInChI=1S/C14H20N2O4S/c1-14(2,21(4,19)20)12(17)9-5-6-11-10(7-9)8-16(3)13(18)15-11/h5-7,12,17H,8H2,1-4H3,(H,15,18)
InChIKeyNDWNJVPUTACYDH-UHFFFAOYSA-N
MW312.39 g/mol
LogP1.52
Rot. Bonds3

About 6-(1-hydroxy-2-methyl-2-methylsulfonylpropyl)-3-methyl-1,4-dihydroquinazolin-2-one

6-(1-hydroxy-2-methyl-2-methylsulfonylpropyl)-3-methyl-1,4-dihydroquinazolin-2-one (PubChem CID 82009709) has the molecular formula C14H20N2O4S and a molecular weight of 312.39 g/mol. Its IUPAC name is 6-(1-hydroxy-2-methyl-2-methylsulfonylpropyl)-3-methyl-1,4-dihydroquinazolin-2-one.

Molecular Properties

Compound Name6-(1-hydroxy-2-methyl-2-methylsulfonylpropyl)-3-methyl-1,4-dihydroquinazolin-2-one
PubChem CID82009709
Molecular FormulaC14H20N2O4S
Molecular Weight312.39 g/mol
Exact Mass312.11
IUPAC Name6-(1-hydroxy-2-methyl-2-methylsulfonylpropyl)-3-methyl-1,4-dihydroquinazolin-2-one
SMILESCN1Cc2cc(C(O)C(C)(C)S(C)(=O)=O)ccc2NC1=O
InChIInChI=1S/C14H20N2O4S/c1-14(2,21(4,19)20)12(17)9-5-6-11-10(7-9)8-16(3)13(18)15-11/h5-7,12,17H,8H2,1-4H3,(H,15,18)
InChIKeyNDWNJVPUTACYDH-UHFFFAOYSA-N
XLogP1.52
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-[4-(4-fluorophenyl)-1-hydroxybutyl]-3,4-dihydro-1H-quinazolin-2-one
CID 21465183
3-Methyl-6-(2,2,2-trifluoro-1-hydroxyethyl)-1,4-dihydroquinazolin-2-one
CID 82009256
3-Methyl-6-(2,2,3,3,3-pentafluoro-1-hydroxypropyl)-1,4-dihydroquinazolin-2-one
CID 82009472
3-Methyl-6-(4,4,4-trifluoro-1-hydroxybutyl)-1,4-dihydroquinazolin-2-one
CID 82009613
6-[(2-Fluorophenyl)-hydroxymethyl]-3-methyl-1,4-dihydroquinazolin-2-one
CID 82009703
3-Methyl-6-(2,2,3,3-tetrafluoro-1-hydroxypropyl)-1,4-dihydroquinazolin-2-one
CID 82009846
6-[(3-Fluorophenyl)-hydroxymethyl]-3-methyl-1,4-dihydroquinazolin-2-one
CID 82010031
3-Methyl-6-(3,3,3-trifluoro-1-hydroxypropyl)-1,4-dihydroquinazolin-2-one
CID 82010461
6-[(4-Fluorophenyl)-hydroxymethyl]-3-methyl-1,4-dihydroquinazolin-2-one
CID 82010663
6-[1-Hydroxy-2-(2,2,2-trifluoroethoxy)ethyl]-3-methyl-1,4-dihydroquinazolin-2-one
CID 103210428
6-[3-(2,2-Difluoroethoxy)-1-hydroxypropyl]-3-methyl-1,4-dihydroquinazolin-2-one
CID 103210429
6-(2,2-Difluoro-1-hydroxyethyl)-3-methyl-1,4-dihydroquinazolin-2-one
CID 104632776

Frequently Asked Questions

What is the IUPAC name of 6-(1-hydroxy-2-methyl-2-methylsulfonylpropyl)-3-methyl-1,4-dihydroquinazolin-2-one?
The IUPAC name of 6-(1-hydroxy-2-methyl-2-methylsulfonylpropyl)-3-methyl-1,4-dihydroquinazolin-2-one (CID 82009709) is 6-(1-hydroxy-2-methyl-2-methylsulfonylpropyl)-3-methyl-1,4-dihydroquinazolin-2-one.
What is the SMILES notation for 6-(1-hydroxy-2-methyl-2-methylsulfonylpropyl)-3-methyl-1,4-dihydroquinazolin-2-one?
The canonical SMILES for 6-(1-hydroxy-2-methyl-2-methylsulfonylpropyl)-3-methyl-1,4-dihydroquinazolin-2-one is CN1Cc2cc(C(O)C(C)(C)S(C)(=O)=O)ccc2NC1=O.
What is the InChIKey of 6-(1-hydroxy-2-methyl-2-methylsulfonylpropyl)-3-methyl-1,4-dihydroquinazolin-2-one?
The InChIKey is NDWNJVPUTACYDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4S/c1-14(2,21(4,19)20)12(17)9-5-6-11-10(7-9)8-16(3)13(18)15-11/h5-7,12,17H,8H2,1-4H3,(H,15,18).
What are the key properties of 6-(1-hydroxy-2-methyl-2-methylsulfonylpropyl)-3-methyl-1,4-dihydroquinazolin-2-one?
6-(1-hydroxy-2-methyl-2-methylsulfonylpropyl)-3-methyl-1,4-dihydroquinazolin-2-one has a molecular weight of 312.39 g/mol, XLogP of 1.52, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-hydroxy-2-methyl-2-methylsulfonylpropyl)-3-methyl-1,4-dihydroquinazolin-2-one is sourced from PubChem (CID 82009709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).