4-[4-(pyrrolidin-1-ylsulfonylmethyl)benzoyl]-1,3-dihydroquinoxalin-2-one

C20H21N3O4S — CID 92685302

IUPAC4-[4-(pyrrolidin-1-ylsulfonylmethyl)benzoyl]-1,3-dihydroquinoxalin-2-one
SMILESO=C1CN(C(=O)c2ccc(CS(=O)(=O)N3CCCC3)cc2)c2ccccc2N1
InChIInChI=1S/C20H21N3O4S/c24-19-13-23(18-6-2-1-5-17(18)21-19)20(25)16-9-7-15(8-10-16)14-28(26,27)22-11-3-4-12-22/h1-2,5-10H,3-4,11-14H2,(H,21,24)
InChIKeyVBEXWXNFKPJJOX-UHFFFAOYSA-N
MW399.47 g/mol
LogP2.21
Rot. Bonds4

About 4-[4-(pyrrolidin-1-ylsulfonylmethyl)benzoyl]-1,3-dihydroquinoxalin-2-one

4-[4-(pyrrolidin-1-ylsulfonylmethyl)benzoyl]-1,3-dihydroquinoxalin-2-one (PubChem CID 92685302) has the molecular formula C20H21N3O4S and a molecular weight of 399.47 g/mol. Its IUPAC name is 4-[4-(pyrrolidin-1-ylsulfonylmethyl)benzoyl]-1,3-dihydroquinoxalin-2-one.

Molecular Properties

Compound Name4-[4-(pyrrolidin-1-ylsulfonylmethyl)benzoyl]-1,3-dihydroquinoxalin-2-one
PubChem CID92685302
Molecular FormulaC20H21N3O4S
Molecular Weight399.47 g/mol
Exact Mass399.13
IUPAC Name4-[4-(pyrrolidin-1-ylsulfonylmethyl)benzoyl]-1,3-dihydroquinoxalin-2-one
SMILESO=C1CN(C(=O)c2ccc(CS(=O)(=O)N3CCCC3)cc2)c2ccccc2N1
InChIInChI=1S/C20H21N3O4S/c24-19-13-23(18-6-2-1-5-17(18)21-19)20(25)16-9-7-15(8-10-16)14-28(26,27)22-11-3-4-12-22/h1-2,5-10H,3-4,11-14H2,(H,21,24)
InChIKeyVBEXWXNFKPJJOX-UHFFFAOYSA-N
XLogP2.21
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.47
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[4-(pyrrolidin-1-ylsulfonylmethyl)benzoyl]-1,3-dihydroquinoxalin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(4-pyrrolidin-1-ylsulfonylbenzoyl)-1,3-dihydroquinoxalin-2-one
CID 16802704
4-(methylsulfonylmethyl)-N-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]benzamide
CID 55751111
1-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]-2-phenylethane-1,2-dione
CID 2445640
N-butan-2-yl-4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)benzenesulfonamide
CID 55350363
4-(5,6,7,8-tetrahydronaphthalene-2-carbonyl)-1,3-dihydroquinoxalin-2-one
CID 16863960
1-butylsulfonyl-N-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]piperidine-4-carboxamide
CID 55799096
4-[2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]acetyl]-1,3-dihydroquinoxalin-2-one
CID 41447992
N,N-bis(2-methylpropyl)-4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)benzenesulfonamide
CID 16863940
4-(3,4-dihydroxybenzoyl)-1,3-dihydroquinoxalin-2-one
CID 103956224
N-cyclohexyl-N-ethyl-4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)benzenesulfonamide
CID 16864013
4-[3-(chloromethyl)benzoyl]-1,3-dihydroquinoxalin-2-one
CID 43156396
4-(3-chloro-4-methylbenzoyl)-1,3-dihydroquinoxalin-2-one
CID 63195251

Frequently Asked Questions

What is the IUPAC name of 4-[4-(pyrrolidin-1-ylsulfonylmethyl)benzoyl]-1,3-dihydroquinoxalin-2-one?
The IUPAC name of 4-[4-(pyrrolidin-1-ylsulfonylmethyl)benzoyl]-1,3-dihydroquinoxalin-2-one (CID 92685302) is 4-[4-(pyrrolidin-1-ylsulfonylmethyl)benzoyl]-1,3-dihydroquinoxalin-2-one.
What is the SMILES notation for 4-[4-(pyrrolidin-1-ylsulfonylmethyl)benzoyl]-1,3-dihydroquinoxalin-2-one?
The canonical SMILES for 4-[4-(pyrrolidin-1-ylsulfonylmethyl)benzoyl]-1,3-dihydroquinoxalin-2-one is O=C1CN(C(=O)c2ccc(CS(=O)(=O)N3CCCC3)cc2)c2ccccc2N1.
What is the InChIKey of 4-[4-(pyrrolidin-1-ylsulfonylmethyl)benzoyl]-1,3-dihydroquinoxalin-2-one?
The InChIKey is VBEXWXNFKPJJOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O4S/c24-19-13-23(18-6-2-1-5-17(18)21-19)20(25)16-9-7-15(8-10-16)14-28(26,27)22-11-3-4-12-22/h1-2,5-10H,3-4,11-14H2,(H,21,24).
What are the key properties of 4-[4-(pyrrolidin-1-ylsulfonylmethyl)benzoyl]-1,3-dihydroquinoxalin-2-one?
4-[4-(pyrrolidin-1-ylsulfonylmethyl)benzoyl]-1,3-dihydroquinoxalin-2-one has a molecular weight of 399.47 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(pyrrolidin-1-ylsulfonylmethyl)benzoyl]-1,3-dihydroquinoxalin-2-one is sourced from PubChem (CID 92685302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).