4-methyl-6-pyrrolidin-1-ylsulfonyl-1,3-dihydroquinoxalin-2-one;molecular hydrogen

C13H19N3O3S — CID 163372216

IUPAC4-methyl-6-pyrrolidin-1-ylsulfonyl-1,3-dihydroquinoxalin-2-one;molecular hydrogen
SMILESCN1CC(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc21.[H][H]
InChIInChI=1S/C13H17N3O3S.H2/c1-15-9-13(17)14-11-5-4-10(8-12(11)15)20(18,19)16-6-2-3-7-16;/h4-5,8H,2-3,6-7,9H2,1H3,(H,14,17);1H
InChIKeySEGRATIXQCJGDS-UHFFFAOYSA-N
MW297.38 g/mol
LogP1.11
Rot. Bonds2

About 4-methyl-6-pyrrolidin-1-ylsulfonyl-1,3-dihydroquinoxalin-2-one;molecular hydrogen

4-methyl-6-pyrrolidin-1-ylsulfonyl-1,3-dihydroquinoxalin-2-one;molecular hydrogen (PubChem CID 163372216) has the molecular formula C13H19N3O3S and a molecular weight of 297.38 g/mol. Its IUPAC name is 4-methyl-6-pyrrolidin-1-ylsulfonyl-1,3-dihydroquinoxalin-2-one;molecular hydrogen.

Molecular Properties

Compound Name4-methyl-6-pyrrolidin-1-ylsulfonyl-1,3-dihydroquinoxalin-2-one;molecular hydrogen
PubChem CID163372216
Molecular FormulaC13H19N3O3S
Molecular Weight297.38 g/mol
Exact Mass297.11
IUPAC Name4-methyl-6-pyrrolidin-1-ylsulfonyl-1,3-dihydroquinoxalin-2-one;molecular hydrogen
SMILESCN1CC(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc21.[H][H]
InChIInChI=1S/C13H17N3O3S.H2/c1-15-9-13(17)14-11-5-4-10(8-12(11)15)20(18,19)16-6-2-3-7-16;/h4-5,8H,2-3,6-7,9H2,1H3,(H,14,17);1H
InChIKeySEGRATIXQCJGDS-UHFFFAOYSA-N
XLogP1.11
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-6-pyrrolidin-1-ylsulfonyl-1,3-dihydroquinoxalin-2-one
CID 156743603
7-piperidin-1-ylsulfonyl-1,5-dihydro-1,5-benzodiazepine-2,4-dione
CID 20949437
7-piperidin-1-ylsulfonyl-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione
CID 18422443
molecular hydrogen;5-piperazin-1-ylsulfonyl-1H-indole-2,3-dione
CID 156842363
(4-methyl-2-oxo-1,3-dihydroquinoxalin-6-yl)boronic acid
CID 130053587
4-(4-pyrrolidin-1-ylsulfonylbenzoyl)-1,3-dihydroquinoxalin-2-one
CID 16802704
6-(azepan-1-ylsulfonyl)-4H-1,4-benzoxazin-3-one
CID 22548236
3-propan-2-yl-5-pyrrolidin-1-ylsulfonyl-1,3-dihydroindol-2-one
CID 20927230
1-(4-methyl-3-pyrrolidin-1-ylsulfonylphenyl)sulfonylpyrrolidine
CID 646959
1-(4-methyl-3-pyrrolidin-1-ylphenyl)sulfonylpiperidine
CID 168512938
(2S)-7-(azepan-1-ylsulfonyl)-2-methyl-4H-1,4-benzoxazin-3-one
CID 124854790
6-piperidin-1-ylsulfonyl-1,2,3,4-tetrahydroquinoline
CID 7064078

Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-pyrrolidin-1-ylsulfonyl-1,3-dihydroquinoxalin-2-one;molecular hydrogen?
The IUPAC name of 4-methyl-6-pyrrolidin-1-ylsulfonyl-1,3-dihydroquinoxalin-2-one;molecular hydrogen (CID 163372216) is 4-methyl-6-pyrrolidin-1-ylsulfonyl-1,3-dihydroquinoxalin-2-one;molecular hydrogen.
What is the SMILES notation for 4-methyl-6-pyrrolidin-1-ylsulfonyl-1,3-dihydroquinoxalin-2-one;molecular hydrogen?
The canonical SMILES for 4-methyl-6-pyrrolidin-1-ylsulfonyl-1,3-dihydroquinoxalin-2-one;molecular hydrogen is CN1CC(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc21.[H][H].
What is the InChIKey of 4-methyl-6-pyrrolidin-1-ylsulfonyl-1,3-dihydroquinoxalin-2-one;molecular hydrogen?
The InChIKey is SEGRATIXQCJGDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3S.H2/c1-15-9-13(17)14-11-5-4-10(8-12(11)15)20(18,19)16-6-2-3-7-16;/h4-5,8H,2-3,6-7,9H2,1H3,(H,14,17);1H.
What are the key properties of 4-methyl-6-pyrrolidin-1-ylsulfonyl-1,3-dihydroquinoxalin-2-one;molecular hydrogen?
4-methyl-6-pyrrolidin-1-ylsulfonyl-1,3-dihydroquinoxalin-2-one;molecular hydrogen has a molecular weight of 297.38 g/mol, XLogP of 1.11, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-pyrrolidin-1-ylsulfonyl-1,3-dihydroquinoxalin-2-one;molecular hydrogen is sourced from PubChem (CID 163372216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).