4-[4-(4-methoxyphenyl)sulfonylbutanoyl]-1,3-dihydroquinoxalin-2-one

C19H20N2O5S — CID 42477601

IUPAC4-[4-(4-methoxyphenyl)sulfonylbutanoyl]-1,3-dihydroquinoxalin-2-one
SMILESCOc1ccc(S(=O)(=O)CCCC(=O)N2CC(=O)Nc3ccccc32)cc1
InChIInChI=1S/C19H20N2O5S/c1-26-14-8-10-15(11-9-14)27(24,25)12-4-7-19(23)21-13-18(22)20-16-5-2-3-6-17(16)21/h2-3,5-6,8-11H,4,7,12-13H2,1H3,(H,20,22)
InChIKeyBVHUYWLPDVLKAZ-UHFFFAOYSA-N
MW388.45 g/mol
LogP2.23
Rot. Bonds6

About 4-[4-(4-methoxyphenyl)sulfonylbutanoyl]-1,3-dihydroquinoxalin-2-one

4-[4-(4-methoxyphenyl)sulfonylbutanoyl]-1,3-dihydroquinoxalin-2-one (PubChem CID 42477601) has the molecular formula C19H20N2O5S and a molecular weight of 388.45 g/mol. Its IUPAC name is 4-[4-(4-methoxyphenyl)sulfonylbutanoyl]-1,3-dihydroquinoxalin-2-one.

Molecular Properties

Compound Name4-[4-(4-methoxyphenyl)sulfonylbutanoyl]-1,3-dihydroquinoxalin-2-one
PubChem CID42477601
Molecular FormulaC19H20N2O5S
Molecular Weight388.45 g/mol
Exact Mass388.11
IUPAC Name4-[4-(4-methoxyphenyl)sulfonylbutanoyl]-1,3-dihydroquinoxalin-2-one
SMILESCOc1ccc(S(=O)(=O)CCCC(=O)N2CC(=O)Nc3ccccc32)cc1
InChIInChI=1S/C19H20N2O5S/c1-26-14-8-10-15(11-9-14)27(24,25)12-4-7-19(23)21-13-18(22)20-16-5-2-3-6-17(16)21/h2-3,5-6,8-11H,4,7,12-13H2,1H3,(H,20,22)
InChIKeyBVHUYWLPDVLKAZ-UHFFFAOYSA-N
XLogP2.23
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.45
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-methoxyphenyl)-N-[4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butyl]methanesulfonamide
CID 100552562
4-[4-(4-methoxyphenyl)sulfanylbutanoyl]-1,3-dihydroquinoxalin-2-one
CID 16864002
[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2-(4-methoxyphenoxy)acetate
CID 2438205
[1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl] 3-(4-methylphenyl)sulfonylpropanoate
CID 45353885
4-(6-aminohexanoyl)-1,3-dihydroquinoxalin-2-one
CID 28822275
[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2,5-dimethoxybenzoate
CID 7561082
(5R)-5-(6-methoxynaphthalen-2-yl)-5-methyl-3-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]imidazolidine-2,4-dione
CID 41176825
N-[2-(methylamino)ethyl]-4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butanamide
CID 119502929
4-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethoxy]benzonitrile
CID 7818538
4-[2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]acetyl]-1,3-dihydroquinoxalin-2-one
CID 4817791
4-[3-(4-methylphenyl)propanoyl]-1,3-dihydroquinoxalin-2-one
CID 41453577
4-(2,5-dimethoxybenzoyl)-1,3-dihydroquinoxalin-2-one
CID 16864034

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-methoxyphenyl)sulfonylbutanoyl]-1,3-dihydroquinoxalin-2-one?
The IUPAC name of 4-[4-(4-methoxyphenyl)sulfonylbutanoyl]-1,3-dihydroquinoxalin-2-one (CID 42477601) is 4-[4-(4-methoxyphenyl)sulfonylbutanoyl]-1,3-dihydroquinoxalin-2-one.
What is the SMILES notation for 4-[4-(4-methoxyphenyl)sulfonylbutanoyl]-1,3-dihydroquinoxalin-2-one?
The canonical SMILES for 4-[4-(4-methoxyphenyl)sulfonylbutanoyl]-1,3-dihydroquinoxalin-2-one is COc1ccc(S(=O)(=O)CCCC(=O)N2CC(=O)Nc3ccccc32)cc1.
What is the InChIKey of 4-[4-(4-methoxyphenyl)sulfonylbutanoyl]-1,3-dihydroquinoxalin-2-one?
The InChIKey is BVHUYWLPDVLKAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O5S/c1-26-14-8-10-15(11-9-14)27(24,25)12-4-7-19(23)21-13-18(22)20-16-5-2-3-6-17(16)21/h2-3,5-6,8-11H,4,7,12-13H2,1H3,(H,20,22).
What are the key properties of 4-[4-(4-methoxyphenyl)sulfonylbutanoyl]-1,3-dihydroquinoxalin-2-one?
4-[4-(4-methoxyphenyl)sulfonylbutanoyl]-1,3-dihydroquinoxalin-2-one has a molecular weight of 388.45 g/mol, XLogP of 2.23, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-methoxyphenyl)sulfonylbutanoyl]-1,3-dihydroquinoxalin-2-one is sourced from PubChem (CID 42477601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).