3-methyl-6-pyrrolidin-1-ylsulfonyl-1,4-dihydroquinazolin-2-one

C13H17N3O3S — CID 66553125

IUPAC3-methyl-6-pyrrolidin-1-ylsulfonyl-1,4-dihydroquinazolin-2-one
SMILESCN1Cc2cc(S(=O)(=O)N3CCCC3)ccc2NC1=O
InChIInChI=1S/C13H17N3O3S/c1-15-9-10-8-11(4-5-12(10)14-13(15)17)20(18,19)16-6-2-3-7-16/h4-5,8H,2-3,6-7,9H2,1H3,(H,14,17)
InChIKeyJPBCSPCBFLTTPI-UHFFFAOYSA-N
MW295.36 g/mol
LogP1.45
Rot. Bonds2

About 3-methyl-6-pyrrolidin-1-ylsulfonyl-1,4-dihydroquinazolin-2-one

3-methyl-6-pyrrolidin-1-ylsulfonyl-1,4-dihydroquinazolin-2-one (PubChem CID 66553125) has the molecular formula C13H17N3O3S and a molecular weight of 295.36 g/mol. Its IUPAC name is 3-methyl-6-pyrrolidin-1-ylsulfonyl-1,4-dihydroquinazolin-2-one.

Molecular Properties

Compound Name3-methyl-6-pyrrolidin-1-ylsulfonyl-1,4-dihydroquinazolin-2-one
PubChem CID66553125
Molecular FormulaC13H17N3O3S
Molecular Weight295.36 g/mol
Exact Mass295.10
IUPAC Name3-methyl-6-pyrrolidin-1-ylsulfonyl-1,4-dihydroquinazolin-2-one
SMILESCN1Cc2cc(S(=O)(=O)N3CCCC3)ccc2NC1=O
InChIInChI=1S/C13H17N3O3S/c1-15-9-10-8-11(4-5-12(10)14-13(15)17)20(18,19)16-6-2-3-7-16/h4-5,8H,2-3,6-7,9H2,1H3,(H,14,17)
InChIKeyJPBCSPCBFLTTPI-UHFFFAOYSA-N
XLogP1.45
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.36
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-(Pyrrolidine-1-sulfonyl)-1,2,3,4-tetrahydroquinoline
CID 7064100
1,2,3,4-Tetrahydroquinoline-6-sulfonamide
CID 16227153
BRD4 Inhibitor-17
CID 163196475
3-Methyl-2-Oxo-N-Phenyl-1,2,3,4-Tetrahydroquinazoline-6-Sulfonamide
CID 71271969
N-octyl-5-(phenylsulfamoyl)-2,3-dihydro-1H-indole-1-carboxamide
CID 44298731
9,9-Dioxo-9lambda6-thia-1,10-diazatricyclo[6.3.1.04,12]dodeca-4(12),5,7-trien-11-one
CID 14024589
N-(2-methylphenyl)-4-(2-oxoimidazolidin-1-yl)benzenesulfonamide
CID 53372092
N-(4-ethylphenyl)-4-(2-oxoimidazolidin-1-yl)benzenesulfonamide
CID 53372094
N-(2-ethylphenyl)-4-(2-oxoimidazolidin-1-yl)benzenesulfonamide
CID 53372217
N-(3-methylphenyl)-4-(2-oxoimidazolidin-1-yl)benzenesulfonamide
CID 53372222
N-(3,5-dimethylphenyl)-4-(2-oxoimidazolidin-1-yl)benzenesulfonamide
CID 53372352
N-(2,4-dimethylphenyl)-4-(2-oxoimidazolidin-1-yl)benzenesulfonamide
CID 53372353

Frequently Asked Questions

What is the IUPAC name of 3-methyl-6-pyrrolidin-1-ylsulfonyl-1,4-dihydroquinazolin-2-one?
The IUPAC name of 3-methyl-6-pyrrolidin-1-ylsulfonyl-1,4-dihydroquinazolin-2-one (CID 66553125) is 3-methyl-6-pyrrolidin-1-ylsulfonyl-1,4-dihydroquinazolin-2-one.
What is the SMILES notation for 3-methyl-6-pyrrolidin-1-ylsulfonyl-1,4-dihydroquinazolin-2-one?
The canonical SMILES for 3-methyl-6-pyrrolidin-1-ylsulfonyl-1,4-dihydroquinazolin-2-one is CN1Cc2cc(S(=O)(=O)N3CCCC3)ccc2NC1=O.
What is the InChIKey of 3-methyl-6-pyrrolidin-1-ylsulfonyl-1,4-dihydroquinazolin-2-one?
The InChIKey is JPBCSPCBFLTTPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3S/c1-15-9-10-8-11(4-5-12(10)14-13(15)17)20(18,19)16-6-2-3-7-16/h4-5,8H,2-3,6-7,9H2,1H3,(H,14,17).
What are the key properties of 3-methyl-6-pyrrolidin-1-ylsulfonyl-1,4-dihydroquinazolin-2-one?
3-methyl-6-pyrrolidin-1-ylsulfonyl-1,4-dihydroquinazolin-2-one has a molecular weight of 295.36 g/mol, XLogP of 1.45, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6-pyrrolidin-1-ylsulfonyl-1,4-dihydroquinazolin-2-one is sourced from PubChem (CID 66553125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).