5-[(4-methyl-2,3-dihydroquinoxalin-1-yl)sulfonyl]-1H-pyridin-2-one

C14H15N3O3S — CID 63776643

IUPAC5-[(4-methyl-2,3-dihydroquinoxalin-1-yl)sulfonyl]-1H-pyridin-2-one
SMILESCN1CCN(S(=O)(=O)c2ccc(=O)[nH]c2)c2ccccc21
InChIInChI=1S/C14H15N3O3S/c1-16-8-9-17(13-5-3-2-4-12(13)16)21(19,20)11-6-7-14(18)15-10-11/h2-7,10H,8-9H2,1H3,(H,15,18)
InChIKeyKYULFDMFGCRBFJ-UHFFFAOYSA-N
MW305.36 g/mol
LogP1.02
Rot. Bonds2

About 5-[(4-methyl-2,3-dihydroquinoxalin-1-yl)sulfonyl]-1H-pyridin-2-one

5-[(4-methyl-2,3-dihydroquinoxalin-1-yl)sulfonyl]-1H-pyridin-2-one (PubChem CID 63776643) has the molecular formula C14H15N3O3S and a molecular weight of 305.36 g/mol. Its IUPAC name is 5-[(4-methyl-2,3-dihydroquinoxalin-1-yl)sulfonyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name5-[(4-methyl-2,3-dihydroquinoxalin-1-yl)sulfonyl]-1H-pyridin-2-one
PubChem CID63776643
Molecular FormulaC14H15N3O3S
Molecular Weight305.36 g/mol
Exact Mass305.08
IUPAC Name5-[(4-methyl-2,3-dihydroquinoxalin-1-yl)sulfonyl]-1H-pyridin-2-one
SMILESCN1CCN(S(=O)(=O)c2ccc(=O)[nH]c2)c2ccccc21
InChIInChI=1S/C14H15N3O3S/c1-16-8-9-17(13-5-3-2-4-12(13)16)21(19,20)11-6-7-14(18)15-10-11/h2-7,10H,8-9H2,1H3,(H,15,18)
InChIKeyKYULFDMFGCRBFJ-UHFFFAOYSA-N
XLogP1.02
TPSA73.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(4-methyl-2,3-dihydroquinoxalin-1-yl)sulfonyl]phenol
CID 63777912
1-methyl-4-(4-propylphenyl)sulfonyl-2,3-dihydroquinoxaline
CID 46382906
5-[4-(2,3-dimethylphenyl)piperazin-1-yl]sulfonyl-1H-pyridin-2-one
CID 110865706
1-(5-bromo-3-methyltriazol-4-yl)sulfonyl-4-methyl-2,3-dihydroquinoxaline
CID 106468005
4-[(6-oxo-1H-pyridin-3-yl)sulfonyl]piperazine-2,6-dione
CID 66063399
3-[(4-methyl-2,3-dihydroquinoxalin-1-yl)sulfonyl]propan-1-amine
CID 63777500
1-benzylsulfonyl-4-methyl-2,3-dihydroquinoxaline
CID 110715148
5-(4,4-diethylpiperidin-1-yl)sulfonyl-1H-pyridin-2-one
CID 63162212
5-(3-ethyl-4-methylpiperazin-1-yl)sulfonyl-1H-pyridin-2-one
CID 63616386
5-[3-(dimethylamino)pyrrolidin-1-yl]sulfonyl-1H-pyridin-2-one
CID 63174689
1-[(4-fluorophenyl)methylsulfonyl]-4-methyl-2,3-dihydroquinoxaline
CID 110715152
1-(1,4-diazepan-1-ylsulfonyl)-4-methyl-2,3-dihydroquinoxaline
CID 63778567

Frequently Asked Questions

What is the IUPAC name of 5-[(4-methyl-2,3-dihydroquinoxalin-1-yl)sulfonyl]-1H-pyridin-2-one?
The IUPAC name of 5-[(4-methyl-2,3-dihydroquinoxalin-1-yl)sulfonyl]-1H-pyridin-2-one (CID 63776643) is 5-[(4-methyl-2,3-dihydroquinoxalin-1-yl)sulfonyl]-1H-pyridin-2-one.
What is the SMILES notation for 5-[(4-methyl-2,3-dihydroquinoxalin-1-yl)sulfonyl]-1H-pyridin-2-one?
The canonical SMILES for 5-[(4-methyl-2,3-dihydroquinoxalin-1-yl)sulfonyl]-1H-pyridin-2-one is CN1CCN(S(=O)(=O)c2ccc(=O)[nH]c2)c2ccccc21.
What is the InChIKey of 5-[(4-methyl-2,3-dihydroquinoxalin-1-yl)sulfonyl]-1H-pyridin-2-one?
The InChIKey is KYULFDMFGCRBFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3S/c1-16-8-9-17(13-5-3-2-4-12(13)16)21(19,20)11-6-7-14(18)15-10-11/h2-7,10H,8-9H2,1H3,(H,15,18).
What are the key properties of 5-[(4-methyl-2,3-dihydroquinoxalin-1-yl)sulfonyl]-1H-pyridin-2-one?
5-[(4-methyl-2,3-dihydroquinoxalin-1-yl)sulfonyl]-1H-pyridin-2-one has a molecular weight of 305.36 g/mol, XLogP of 1.02, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-methyl-2,3-dihydroquinoxalin-1-yl)sulfonyl]-1H-pyridin-2-one is sourced from PubChem (CID 63776643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).