N,N-dimethyl-4-[(2-oxo-3,6-dihydropyrrolo[3,2-f]quinolin-1-yl)methylideneamino]benzenesulfonamide

C20H18N4O3S — CID 135950091

IUPACN,N-dimethyl-4-[(2-oxo-3,6-dihydropyrrolo[3,2-f]quinolin-1-yl)methylideneamino]benzenesulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(/N=C/c2c(=O)[nH]c3ccc4[nH]cccc4c23)cc1
InChIInChI=1S/C20H18N4O3S/c1-24(2)28(26,27)14-7-5-13(6-8-14)22-12-16-19-15-4-3-11-21-17(15)9-10-18(19)23-20(16)25/h3-12,21H,1-2H3,(H,23,25)/b22-12+
InChIKeyXQOBJJSNRJOWSJ-WSDLNYQXSA-N
MW394.46 g/mol
LogP3.01
Rot. Bonds4

About N,N-dimethyl-4-[(2-oxo-3,6-dihydropyrrolo[3,2-f]quinolin-1-yl)methylideneamino]benzenesulfonamide

N,N-dimethyl-4-[(2-oxo-3,6-dihydropyrrolo[3,2-f]quinolin-1-yl)methylideneamino]benzenesulfonamide (PubChem CID 135950091) has the molecular formula C20H18N4O3S and a molecular weight of 394.46 g/mol. Its IUPAC name is N,N-dimethyl-4-[(2-oxo-3,6-dihydropyrrolo[3,2-f]quinolin-1-yl)methylideneamino]benzenesulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-4-[(2-oxo-3,6-dihydropyrrolo[3,2-f]quinolin-1-yl)methylideneamino]benzenesulfonamide
PubChem CID135950091
Molecular FormulaC20H18N4O3S
Molecular Weight394.46 g/mol
Exact Mass394.11
IUPAC NameN,N-dimethyl-4-[(2-oxo-3,6-dihydropyrrolo[3,2-f]quinolin-1-yl)methylideneamino]benzenesulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(/N=C/c2c(=O)[nH]c3ccc4[nH]cccc4c23)cc1
InChIInChI=1S/C20H18N4O3S/c1-24(2)28(26,27)14-7-5-13(6-8-14)22-12-16-19-15-4-3-11-21-17(15)9-10-18(19)23-20(16)25/h3-12,21H,1-2H3,(H,23,25)/b22-12+
InChIKeyXQOBJJSNRJOWSJ-WSDLNYQXSA-N
XLogP3.01
TPSA98.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.46
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

Oxindole-Based Inhibitor 81
CID 135435007
Oxindole-Based Inhibitor 82
CID 135421145
4-{[(5-cyano-4-methyl-2,6-dioxo-1,6-dihydro-3(2H)-pyridinylidene)methyl]amino}-N,N-dimethylbenzenesulfonamide
CID 1008543
[amino-[4-[(2-fluorocyclohexyl)amino]-2-oxo-1H-pyridin-3-yl]methylidene]-[4-(dimethylsulfamoyl)phenyl]azanium
CID 144713248
2-[4-[(2-Oxoindol-3-yl)methylamino]phenyl]sulfonylguanidine
CID 446707
N'-[4-(dimethylsulfamoyl)phenyl]-4-[(2-fluorocyclohexyl)amino]-2-oxo-1H-pyridine-3-carboximidamide
CID 144713249
N-[4-[(7-oxo-4,6-dihydro-3aH-[1,3]thiazolo[5,4-e]indol-1-yl)methylideneamino]phenyl]sulfonylacetamide
CID 57220223
N-methyl-4-[(1,2,4,5-tetramethyl-6-oxo-3-pyridinyl)diazenyl]benzenesulfonamide
CID 59882351
1-[[4-[2-(Diethylamino)ethylsulfonyl]phenyl]iminomethyl]-3,6-dihydropyrrolo[3,2-f]quinolin-2-one
CID 135444753
N-methyl-4-[(2-oxo-3,6-dihydropyrrolo[3,2-f]quinolin-1-yl)diazenyl]benzenesulfonamide
CID 135981076
1-[(4-Propylsulfonylphenyl)iminomethyl]-3,6-dihydropyrrolo[3,2-f]quinolin-2-one
CID 136037451
4-(cyclohexylamino)-2-oxo-N'-(4-propan-2-ylsulfinamoylphenyl)-1H-pyridine-3-carboximidamide
CID 137282022

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[(2-oxo-3,6-dihydropyrrolo[3,2-f]quinolin-1-yl)methylideneamino]benzenesulfonamide?
The IUPAC name of N,N-dimethyl-4-[(2-oxo-3,6-dihydropyrrolo[3,2-f]quinolin-1-yl)methylideneamino]benzenesulfonamide (CID 135950091) is N,N-dimethyl-4-[(2-oxo-3,6-dihydropyrrolo[3,2-f]quinolin-1-yl)methylideneamino]benzenesulfonamide.
What is the SMILES notation for N,N-dimethyl-4-[(2-oxo-3,6-dihydropyrrolo[3,2-f]quinolin-1-yl)methylideneamino]benzenesulfonamide?
The canonical SMILES for N,N-dimethyl-4-[(2-oxo-3,6-dihydropyrrolo[3,2-f]quinolin-1-yl)methylideneamino]benzenesulfonamide is CN(C)S(=O)(=O)c1ccc(/N=C/c2c(=O)[nH]c3ccc4[nH]cccc4c23)cc1.
What is the InChIKey of N,N-dimethyl-4-[(2-oxo-3,6-dihydropyrrolo[3,2-f]quinolin-1-yl)methylideneamino]benzenesulfonamide?
The InChIKey is XQOBJJSNRJOWSJ-WSDLNYQXSA-N. The full InChI is InChI=1S/C20H18N4O3S/c1-24(2)28(26,27)14-7-5-13(6-8-14)22-12-16-19-15-4-3-11-21-17(15)9-10-18(19)23-20(16)25/h3-12,21H,1-2H3,(H,23,25)/b22-12+.
What are the key properties of N,N-dimethyl-4-[(2-oxo-3,6-dihydropyrrolo[3,2-f]quinolin-1-yl)methylideneamino]benzenesulfonamide?
N,N-dimethyl-4-[(2-oxo-3,6-dihydropyrrolo[3,2-f]quinolin-1-yl)methylideneamino]benzenesulfonamide has a molecular weight of 394.46 g/mol, XLogP of 3.01, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[(2-oxo-3,6-dihydropyrrolo[3,2-f]quinolin-1-yl)methylideneamino]benzenesulfonamide is sourced from PubChem (CID 135950091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).