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

C19H19N3O5S — CID 43004414

IUPAC4-(3-morpholin-4-ylsulfonylbenzoyl)-1,3-dihydroquinoxalin-2-one
SMILESO=C1CN(C(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)c2ccccc2N1
InChIInChI=1S/C19H19N3O5S/c23-18-13-22(17-7-2-1-6-16(17)20-18)19(24)14-4-3-5-15(12-14)28(25,26)21-8-10-27-11-9-21/h1-7,12H,8-11,13H2,(H,20,23)
InChIKeyXKBHALFAQWCJKX-UHFFFAOYSA-N
MW401.44 g/mol
LogP1.31
Rot. Bonds3

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

4-(3-morpholin-4-ylsulfonylbenzoyl)-1,3-dihydroquinoxalin-2-one (PubChem CID 43004414) has the molecular formula C19H19N3O5S and a molecular weight of 401.44 g/mol. Its IUPAC name is 4-(3-morpholin-4-ylsulfonylbenzoyl)-1,3-dihydroquinoxalin-2-one.

Molecular Properties

Compound Name4-(3-morpholin-4-ylsulfonylbenzoyl)-1,3-dihydroquinoxalin-2-one
PubChem CID43004414
Molecular FormulaC19H19N3O5S
Molecular Weight401.44 g/mol
Exact Mass401.10
IUPAC Name4-(3-morpholin-4-ylsulfonylbenzoyl)-1,3-dihydroquinoxalin-2-one
SMILESO=C1CN(C(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)c2ccccc2N1
InChIInChI=1S/C19H19N3O5S/c23-18-13-22(17-7-2-1-6-16(17)20-18)19(24)14-4-3-5-15(12-14)28(25,26)21-8-10-27-11-9-21/h1-7,12H,8-11,13H2,(H,20,23)
InChIKeyXKBHALFAQWCJKX-UHFFFAOYSA-N
XLogP1.31
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.44
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[3-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]benzoyl]-1,3-dihydroquinoxalin-2-one
CID 38098863
4-(4-pyrrolidin-1-ylsulfonylbenzoyl)-1,3-dihydroquinoxalin-2-one
CID 16802704
4-[3-(morpholin-4-ylmethyl)benzoyl]-1,3-dihydroquinoxalin-2-one
CID 30398183
morpholin-4-yl-(3-morpholin-4-ylsulfonylphenyl)methanone
CID 743019
(3-morpholin-4-ylsulfonylphenyl)-piperazin-1-ylmethanone;hydrochloride
CID 119402219
N-methyl-N-(4-methylphenyl)-3-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)benzenesulfonamide
CID 26860472
(3-morpholin-4-ylsulfonylphenyl)-phenothiazin-10-ylmethanone
CID 1127088
4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-1,3-dihydroquinoxalin-2-one
CID 16863954
(3,3-dimethylmorpholin-4-yl)-(3-morpholin-4-ylsulfonylphenyl)methanone
CID 110353758
4-(3-methylsulfanylbenzoyl)-1,3-dihydroquinoxalin-2-one
CID 16863988
4-(3-chloro-4-methylbenzoyl)-1,3-dihydroquinoxalin-2-one
CID 63195251
4-[3-(chloromethyl)benzoyl]-1,3-dihydroquinoxalin-2-one
CID 43156396

Frequently Asked Questions

What is the IUPAC name of 4-(3-morpholin-4-ylsulfonylbenzoyl)-1,3-dihydroquinoxalin-2-one?
The IUPAC name of 4-(3-morpholin-4-ylsulfonylbenzoyl)-1,3-dihydroquinoxalin-2-one (CID 43004414) is 4-(3-morpholin-4-ylsulfonylbenzoyl)-1,3-dihydroquinoxalin-2-one.
What is the SMILES notation for 4-(3-morpholin-4-ylsulfonylbenzoyl)-1,3-dihydroquinoxalin-2-one?
The canonical SMILES for 4-(3-morpholin-4-ylsulfonylbenzoyl)-1,3-dihydroquinoxalin-2-one is O=C1CN(C(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)c2ccccc2N1.
What is the InChIKey of 4-(3-morpholin-4-ylsulfonylbenzoyl)-1,3-dihydroquinoxalin-2-one?
The InChIKey is XKBHALFAQWCJKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O5S/c23-18-13-22(17-7-2-1-6-16(17)20-18)19(24)14-4-3-5-15(12-14)28(25,26)21-8-10-27-11-9-21/h1-7,12H,8-11,13H2,(H,20,23).
What are the key properties of 4-(3-morpholin-4-ylsulfonylbenzoyl)-1,3-dihydroquinoxalin-2-one?
4-(3-morpholin-4-ylsulfonylbenzoyl)-1,3-dihydroquinoxalin-2-one has a molecular weight of 401.44 g/mol, XLogP of 1.31, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-morpholin-4-ylsulfonylbenzoyl)-1,3-dihydroquinoxalin-2-one is sourced from PubChem (CID 43004414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).