6-[(5Z)-5-ethylidene-4-methyl-1,3-dioxoisoquinolin-2-yl]-N-hydroxyhexanamide

C18H22N2O4 — CID 144791056

IUPAC6-[(5Z)-5-ethylidene-4-methyl-1,3-dioxoisoquinolin-2-yl]-N-hydroxyhexanamide
SMILESC/C=c1/cccc2c1=C(C)C(=O)N(CCCCCC(=O)NO)C2=O
InChIInChI=1S/C18H22N2O4/c1-3-13-8-7-9-14-16(13)12(2)17(22)20(18(14)23)11-6-4-5-10-15(21)19-24/h3,7-9,24H,4-6,10-11H2,1-2H3,(H,19,21)/b13-3-
InChIKeyVZHBVHHMDFOZDR-DXNYSGJVSA-N
MW330.38 g/mol
LogP0.71
Rot. Bonds6

About 6-[(5Z)-5-ethylidene-4-methyl-1,3-dioxoisoquinolin-2-yl]-N-hydroxyhexanamide

6-[(5Z)-5-ethylidene-4-methyl-1,3-dioxoisoquinolin-2-yl]-N-hydroxyhexanamide (PubChem CID 144791056) has the molecular formula C18H22N2O4 and a molecular weight of 330.38 g/mol. Its IUPAC name is 6-[(5Z)-5-ethylidene-4-methyl-1,3-dioxoisoquinolin-2-yl]-N-hydroxyhexanamide.

Molecular Properties

Compound Name6-[(5Z)-5-ethylidene-4-methyl-1,3-dioxoisoquinolin-2-yl]-N-hydroxyhexanamide
PubChem CID144791056
Molecular FormulaC18H22N2O4
Molecular Weight330.38 g/mol
Exact Mass330.16
IUPAC Name6-[(5Z)-5-ethylidene-4-methyl-1,3-dioxoisoquinolin-2-yl]-N-hydroxyhexanamide
SMILESC/C=c1/cccc2c1=C(C)C(=O)N(CCCCCC(=O)NO)C2=O
InChIInChI=1S/C18H22N2O4/c1-3-13-8-7-9-14-16(13)12(2)17(22)20(18(14)23)11-6-4-5-10-15(21)19-24/h3,7-9,24H,4-6,10-11H2,1-2H3,(H,19,21)/b13-3-
InChIKeyVZHBVHHMDFOZDR-DXNYSGJVSA-N
XLogP0.71
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-(1,3-dioxobenzo[de]isoquinolin-2-yl)-N-hydroxyhexanamide
CID 5186
7-[5-(2,6-dimethylanilino)-1,3-dioxoisoindol-2-yl]-N-hydroxyheptanamide
CID 53340544
6-[1,3-dioxo-6-(propylamino)benzo[de]isoquinolin-2-yl]-N-hydroxyhexanamide
CID 155537473
5-(1,3-dioxoisoindol-2-yl)pentanehydrazide
CID 63572994
6-(3-chloro-6-oxobenzo[b][1,4]benzothiazepin-5-yl)-N-hydroxyhexanamide
CID 11849156
4-(1,3-dioxobenzo[de]isoquinolin-2-yl)-N-methylbutanamide
CID 3276380
N-(2,5-dimethylphenyl)-6-(1,3-dioxoisoindol-2-yl)hexanamide
CID 3354455
ethyl 18-(1,3-dioxoisoindol-2-yl)octadecanoate
CID 70138302
6-(1,3-dioxoisoindol-2-yl)-N-(1-methylpyrazol-3-yl)hexanamide
CID 19405045
N-[2-(dimethylamino)ethyl]-6-(1,3-dioxoisoindol-2-yl)hexanamide;hydrochloride
CID 126468841
methyl 2-[6-(1,3-dioxoisoindol-2-yl)hexanoylamino]propanoate
CID 19166825
6-(1,3-dioxoisoindol-2-yl)hexanoic acid;manganese
CID 174657326

Frequently Asked Questions

What is the IUPAC name of 6-[(5Z)-5-ethylidene-4-methyl-1,3-dioxoisoquinolin-2-yl]-N-hydroxyhexanamide?
The IUPAC name of 6-[(5Z)-5-ethylidene-4-methyl-1,3-dioxoisoquinolin-2-yl]-N-hydroxyhexanamide (CID 144791056) is 6-[(5Z)-5-ethylidene-4-methyl-1,3-dioxoisoquinolin-2-yl]-N-hydroxyhexanamide.
What is the SMILES notation for 6-[(5Z)-5-ethylidene-4-methyl-1,3-dioxoisoquinolin-2-yl]-N-hydroxyhexanamide?
The canonical SMILES for 6-[(5Z)-5-ethylidene-4-methyl-1,3-dioxoisoquinolin-2-yl]-N-hydroxyhexanamide is C/C=c1/cccc2c1=C(C)C(=O)N(CCCCCC(=O)NO)C2=O.
What is the InChIKey of 6-[(5Z)-5-ethylidene-4-methyl-1,3-dioxoisoquinolin-2-yl]-N-hydroxyhexanamide?
The InChIKey is VZHBVHHMDFOZDR-DXNYSGJVSA-N. The full InChI is InChI=1S/C18H22N2O4/c1-3-13-8-7-9-14-16(13)12(2)17(22)20(18(14)23)11-6-4-5-10-15(21)19-24/h3,7-9,24H,4-6,10-11H2,1-2H3,(H,19,21)/b13-3-.
What are the key properties of 6-[(5Z)-5-ethylidene-4-methyl-1,3-dioxoisoquinolin-2-yl]-N-hydroxyhexanamide?
6-[(5Z)-5-ethylidene-4-methyl-1,3-dioxoisoquinolin-2-yl]-N-hydroxyhexanamide has a molecular weight of 330.38 g/mol, XLogP of 0.71, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(5Z)-5-ethylidene-4-methyl-1,3-dioxoisoquinolin-2-yl]-N-hydroxyhexanamide is sourced from PubChem (CID 144791056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).