4-[(8-chloro-6-fluoro-2-methyl-1-oxo-3,4-dihydropyrazino[1,2-a]indol-10-yl)sulfanyl]-N-hydroxybenzamide

C19H15ClFN3O3S — CID 71585346

IUPAC4-[(8-chloro-6-fluoro-2-methyl-1-oxo-3,4-dihydropyrazino[1,2-a]indol-10-yl)sulfanyl]-N-hydroxybenzamide
SMILESCN1CCn2c(c(Sc3ccc(C(=O)NO)cc3)c3cc(Cl)cc(F)c32)C1=O
InChIInChI=1S/C19H15ClFN3O3S/c1-23-6-7-24-15-13(8-11(20)9-14(15)21)17(16(24)19(23)26)28-12-4-2-10(3-5-12)18(25)22-27/h2-5,8-9,27H,6-7H2,1H3,(H,22,25)
InChIKeyCOALSBOYMKRDGE-UHFFFAOYSA-N
MW419.87 g/mol
LogP3.79
Rot. Bonds3

About 4-[(8-chloro-6-fluoro-2-methyl-1-oxo-3,4-dihydropyrazino[1,2-a]indol-10-yl)sulfanyl]-N-hydroxybenzamide

4-[(8-chloro-6-fluoro-2-methyl-1-oxo-3,4-dihydropyrazino[1,2-a]indol-10-yl)sulfanyl]-N-hydroxybenzamide (PubChem CID 71585346) has the molecular formula C19H15ClFN3O3S and a molecular weight of 419.87 g/mol. Its IUPAC name is 4-[(8-chloro-6-fluoro-2-methyl-1-oxo-3,4-dihydropyrazino[1,2-a]indol-10-yl)sulfanyl]-N-hydroxybenzamide.

Molecular Properties

Compound Name4-[(8-chloro-6-fluoro-2-methyl-1-oxo-3,4-dihydropyrazino[1,2-a]indol-10-yl)sulfanyl]-N-hydroxybenzamide
PubChem CID71585346
Molecular FormulaC19H15ClFN3O3S
Molecular Weight419.87 g/mol
Exact Mass419.05
IUPAC Name4-[(8-chloro-6-fluoro-2-methyl-1-oxo-3,4-dihydropyrazino[1,2-a]indol-10-yl)sulfanyl]-N-hydroxybenzamide
SMILESCN1CCn2c(c(Sc3ccc(C(=O)NO)cc3)c3cc(Cl)cc(F)c32)C1=O
InChIInChI=1S/C19H15ClFN3O3S/c1-23-6-7-24-15-13(8-11(20)9-14(15)21)17(16(24)19(23)26)28-12-4-2-10(3-5-12)18(25)22-27/h2-5,8-9,27H,6-7H2,1H3,(H,22,25)
InChIKeyCOALSBOYMKRDGE-UHFFFAOYSA-N
XLogP3.79
TPSA74.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.87
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-[(8-chloro-6-fluoro-2-methyl-1-oxo-3,4-dihydropyrazino[1,2-a]indol-10-yl)sulfanyl]-N-hydroxybenzamide 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-chloro-N-hydroxybenzamide
CID 587178
4-tert-butyl-N-[6-(4-chlorophenyl)sulfanyl-1,3-dimethyl-2-oxobenzimidazol-5-yl]benzamide
CID 35397459
4-fluoro-3-(4-methylsulfonylphenyl)sulfanylbenzoic acid
CID 80549528
3-(4-chlorophenyl)sulfanyl-1,5-dimethylindole-2-carboxylic acid
CID 71625032
N-(3,5-dichlorophenyl)-4-fluoro-3-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 4075000
4-chloro-N-[4-(4-chlorophenyl)sulfanylphenyl]benzamide
CID 12734406
4-chloro-2-[[4-(trifluoromethylsulfanyl)benzoyl]amino]benzoic acid
CID 45341431
N-[(4-fluorophenyl)methyl]-4-[(4-methyl-2,3-dioxopiperazin-1-yl)methyl]benzamide
CID 53135372
N-[1,3-dimethyl-6-(4-methylphenyl)sulfanyl-2-oxobenzimidazol-5-yl]-4-fluorobenzamide
CID 50773255
N-hydroxy-4-(4-methylsulfonylpiperazin-1-yl)benzamide
CID 11231850
[4-(4-chlorobenzoyl)piperazin-1-yl]-(4-methylsulfanylphenyl)methanone
CID 110802860
4-[3-(4-chlorophenyl)sulfanyl-6-oxopyridazin-1-yl]-N-(3-methylsulfanylphenyl)benzamide
CID 46323762

Frequently Asked Questions

What is the IUPAC name of 4-[(8-chloro-6-fluoro-2-methyl-1-oxo-3,4-dihydropyrazino[1,2-a]indol-10-yl)sulfanyl]-N-hydroxybenzamide?
The IUPAC name of 4-[(8-chloro-6-fluoro-2-methyl-1-oxo-3,4-dihydropyrazino[1,2-a]indol-10-yl)sulfanyl]-N-hydroxybenzamide (CID 71585346) is 4-[(8-chloro-6-fluoro-2-methyl-1-oxo-3,4-dihydropyrazino[1,2-a]indol-10-yl)sulfanyl]-N-hydroxybenzamide.
What is the SMILES notation for 4-[(8-chloro-6-fluoro-2-methyl-1-oxo-3,4-dihydropyrazino[1,2-a]indol-10-yl)sulfanyl]-N-hydroxybenzamide?
The canonical SMILES for 4-[(8-chloro-6-fluoro-2-methyl-1-oxo-3,4-dihydropyrazino[1,2-a]indol-10-yl)sulfanyl]-N-hydroxybenzamide is CN1CCn2c(c(Sc3ccc(C(=O)NO)cc3)c3cc(Cl)cc(F)c32)C1=O.
What is the InChIKey of 4-[(8-chloro-6-fluoro-2-methyl-1-oxo-3,4-dihydropyrazino[1,2-a]indol-10-yl)sulfanyl]-N-hydroxybenzamide?
The InChIKey is COALSBOYMKRDGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClFN3O3S/c1-23-6-7-24-15-13(8-11(20)9-14(15)21)17(16(24)19(23)26)28-12-4-2-10(3-5-12)18(25)22-27/h2-5,8-9,27H,6-7H2,1H3,(H,22,25).
What are the key properties of 4-[(8-chloro-6-fluoro-2-methyl-1-oxo-3,4-dihydropyrazino[1,2-a]indol-10-yl)sulfanyl]-N-hydroxybenzamide?
4-[(8-chloro-6-fluoro-2-methyl-1-oxo-3,4-dihydropyrazino[1,2-a]indol-10-yl)sulfanyl]-N-hydroxybenzamide has a molecular weight of 419.87 g/mol, XLogP of 3.79, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(8-chloro-6-fluoro-2-methyl-1-oxo-3,4-dihydropyrazino[1,2-a]indol-10-yl)sulfanyl]-N-hydroxybenzamide is sourced from PubChem (CID 71585346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).