4-(4-pyrrolidin-1-ylsulfonylbenzoyl)-1,3-dihydroquinoxalin-2-one

C19H19N3O4S — CID 16802704

IUPAC4-(4-pyrrolidin-1-ylsulfonylbenzoyl)-1,3-dihydroquinoxalin-2-one
SMILESO=C1CN(C(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)c2ccccc2N1
InChIInChI=1S/C19H19N3O4S/c23-18-13-22(17-6-2-1-5-16(17)20-18)19(24)14-7-9-15(10-8-14)27(25,26)21-11-3-4-12-21/h1-2,5-10H,3-4,11-13H2,(H,20,23)
InChIKeyJSQNVYCFAGLNGG-UHFFFAOYSA-N
MW385.45 g/mol
LogP2.07
Rot. Bonds3

About 4-(4-pyrrolidin-1-ylsulfonylbenzoyl)-1,3-dihydroquinoxalin-2-one

4-(4-pyrrolidin-1-ylsulfonylbenzoyl)-1,3-dihydroquinoxalin-2-one (PubChem CID 16802704) has the molecular formula C19H19N3O4S and a molecular weight of 385.45 g/mol. Its IUPAC name is 4-(4-pyrrolidin-1-ylsulfonylbenzoyl)-1,3-dihydroquinoxalin-2-one.

Molecular Properties

Compound Name4-(4-pyrrolidin-1-ylsulfonylbenzoyl)-1,3-dihydroquinoxalin-2-one
PubChem CID16802704
Molecular FormulaC19H19N3O4S
Molecular Weight385.45 g/mol
Exact Mass385.11
IUPAC Name4-(4-pyrrolidin-1-ylsulfonylbenzoyl)-1,3-dihydroquinoxalin-2-one
SMILESO=C1CN(C(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)c2ccccc2N1
InChIInChI=1S/C19H19N3O4S/c23-18-13-22(17-6-2-1-5-16(17)20-18)19(24)14-7-9-15(10-8-14)27(25,26)21-11-3-4-12-21/h1-2,5-10H,3-4,11-13H2,(H,20,23)
InChIKeyJSQNVYCFAGLNGG-UHFFFAOYSA-N
XLogP2.07
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.45
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[4-(pyrrolidin-1-ylsulfonylmethyl)benzoyl]-1,3-dihydroquinoxalin-2-one
CID 92685302
1-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]-2-phenylethane-1,2-dione
CID 2445640
4-(3-morpholin-4-ylsulfonylbenzoyl)-1,3-dihydroquinoxalin-2-one
CID 43004414
N-butan-2-yl-4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)benzenesulfonamide
CID 55350363
4-[3-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]benzoyl]-1,3-dihydroquinoxalin-2-one
CID 38098863
N,N-bis(2-methylpropyl)-4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)benzenesulfonamide
CID 16863940
N-cyclohexyl-N-ethyl-4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)benzenesulfonamide
CID 16864013
4-(3-chloro-4-methylbenzoyl)-1,3-dihydroquinoxalin-2-one
CID 63195251
[4-(azepan-1-ylsulfonyl)phenyl]-(2,3-dihydroindol-1-yl)methanone
CID 1158035
4-(3,4-dihydroxybenzoyl)-1,3-dihydroquinoxalin-2-one
CID 103956224
4-(5,6,7,8-tetrahydronaphthalene-2-carbonyl)-1,3-dihydroquinoxalin-2-one
CID 16863960
4-(4-bromo-3-chlorobenzoyl)-1,3-dihydroquinoxalin-2-one
CID 80948248

Frequently Asked Questions

What is the IUPAC name of 4-(4-pyrrolidin-1-ylsulfonylbenzoyl)-1,3-dihydroquinoxalin-2-one?
The IUPAC name of 4-(4-pyrrolidin-1-ylsulfonylbenzoyl)-1,3-dihydroquinoxalin-2-one (CID 16802704) is 4-(4-pyrrolidin-1-ylsulfonylbenzoyl)-1,3-dihydroquinoxalin-2-one.
What is the SMILES notation for 4-(4-pyrrolidin-1-ylsulfonylbenzoyl)-1,3-dihydroquinoxalin-2-one?
The canonical SMILES for 4-(4-pyrrolidin-1-ylsulfonylbenzoyl)-1,3-dihydroquinoxalin-2-one is O=C1CN(C(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)c2ccccc2N1.
What is the InChIKey of 4-(4-pyrrolidin-1-ylsulfonylbenzoyl)-1,3-dihydroquinoxalin-2-one?
The InChIKey is JSQNVYCFAGLNGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O4S/c23-18-13-22(17-6-2-1-5-16(17)20-18)19(24)14-7-9-15(10-8-14)27(25,26)21-11-3-4-12-21/h1-2,5-10H,3-4,11-13H2,(H,20,23).
What are the key properties of 4-(4-pyrrolidin-1-ylsulfonylbenzoyl)-1,3-dihydroquinoxalin-2-one?
4-(4-pyrrolidin-1-ylsulfonylbenzoyl)-1,3-dihydroquinoxalin-2-one has a molecular weight of 385.45 g/mol, XLogP of 2.07, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-pyrrolidin-1-ylsulfonylbenzoyl)-1,3-dihydroquinoxalin-2-one is sourced from PubChem (CID 16802704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).