4-methyl-7-methylsulfonyl-1-propan-2-yl-1,2-dihydroimidazo[1,2-a]quinazolin-5-one

C15H19N3O3S — CID 170412027

IUPAC4-methyl-7-methylsulfonyl-1-propan-2-yl-1,2-dihydroimidazo[1,2-a]quinazolin-5-one
SMILESCC(C)C1CN=C2N(C)C(=O)c3cc(S(C)(=O)=O)ccc3N21
InChIInChI=1S/C15H19N3O3S/c1-9(2)13-8-16-15-17(3)14(19)11-7-10(22(4,20)21)5-6-12(11)18(13)15/h5-7,9,13H,8H2,1-4H3
InChIKeyXCSDJEGMTNEKNM-UHFFFAOYSA-N
MW321.40 g/mol
LogP1.38
Rot. Bonds2

About 4-methyl-7-methylsulfonyl-1-propan-2-yl-1,2-dihydroimidazo[1,2-a]quinazolin-5-one

4-methyl-7-methylsulfonyl-1-propan-2-yl-1,2-dihydroimidazo[1,2-a]quinazolin-5-one (PubChem CID 170412027) has the molecular formula C15H19N3O3S and a molecular weight of 321.40 g/mol. Its IUPAC name is 4-methyl-7-methylsulfonyl-1-propan-2-yl-1,2-dihydroimidazo[1,2-a]quinazolin-5-one.

Molecular Properties

Compound Name4-methyl-7-methylsulfonyl-1-propan-2-yl-1,2-dihydroimidazo[1,2-a]quinazolin-5-one
PubChem CID170412027
Molecular FormulaC15H19N3O3S
Molecular Weight321.40 g/mol
Exact Mass321.11
IUPAC Name4-methyl-7-methylsulfonyl-1-propan-2-yl-1,2-dihydroimidazo[1,2-a]quinazolin-5-one
SMILESCC(C)C1CN=C2N(C)C(=O)c3cc(S(C)(=O)=O)ccc3N21
InChIInChI=1S/C15H19N3O3S/c1-9(2)13-8-16-15-17(3)14(19)11-7-10(22(4,20)21)5-6-12(11)18(13)15/h5-7,9,13H,8H2,1-4H3
InChIKeyXCSDJEGMTNEKNM-UHFFFAOYSA-N
XLogP1.38
TPSA70.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.40
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-7-methylsulfonyl-1-propan-2-yl-1,2-dihydroimidazo[1,2-a]quinazolin-5-one?
The IUPAC name of 4-methyl-7-methylsulfonyl-1-propan-2-yl-1,2-dihydroimidazo[1,2-a]quinazolin-5-one (CID 170412027) is 4-methyl-7-methylsulfonyl-1-propan-2-yl-1,2-dihydroimidazo[1,2-a]quinazolin-5-one.
What is the SMILES notation for 4-methyl-7-methylsulfonyl-1-propan-2-yl-1,2-dihydroimidazo[1,2-a]quinazolin-5-one?
The canonical SMILES for 4-methyl-7-methylsulfonyl-1-propan-2-yl-1,2-dihydroimidazo[1,2-a]quinazolin-5-one is CC(C)C1CN=C2N(C)C(=O)c3cc(S(C)(=O)=O)ccc3N21.
What is the InChIKey of 4-methyl-7-methylsulfonyl-1-propan-2-yl-1,2-dihydroimidazo[1,2-a]quinazolin-5-one?
The InChIKey is XCSDJEGMTNEKNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3S/c1-9(2)13-8-16-15-17(3)14(19)11-7-10(22(4,20)21)5-6-12(11)18(13)15/h5-7,9,13H,8H2,1-4H3.
What are the key properties of 4-methyl-7-methylsulfonyl-1-propan-2-yl-1,2-dihydroimidazo[1,2-a]quinazolin-5-one?
4-methyl-7-methylsulfonyl-1-propan-2-yl-1,2-dihydroimidazo[1,2-a]quinazolin-5-one has a molecular weight of 321.40 g/mol, XLogP of 1.38, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-7-methylsulfonyl-1-propan-2-yl-1,2-dihydroimidazo[1,2-a]quinazolin-5-one is sourced from PubChem (CID 170412027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).