6-(1,3-dioxobenzo[de]isoquinolin-2-yl)-N-hydroxyhexanamide

C18H18N2O4 — CID 5186

IUPAC6-(1,3-dioxobenzo[de]isoquinolin-2-yl)-N-hydroxyhexanamide
SMILESO=C(CCCCCN1C(=O)c2cccc3cccc(c23)C1=O)NO
InChIInChI=1S/C18H18N2O4/c21-15(19-24)10-2-1-3-11-20-17(22)13-8-4-6-12-7-5-9-14(16(12)13)18(20)23/h4-9,24H,1-3,10-11H2,(H,19,21)
InChIKeyJTDYUFSDZATMKU-UHFFFAOYSA-N
MW326.35 g/mol
LogP2.50
Rot. Bonds6

About 6-(1,3-dioxobenzo[de]isoquinolin-2-yl)-N-hydroxyhexanamide

6-(1,3-dioxobenzo[de]isoquinolin-2-yl)-N-hydroxyhexanamide (PubChem CID 5186) has the molecular formula C18H18N2O4 and a molecular weight of 326.35 g/mol. Its IUPAC name is 6-(1,3-dioxobenzo[de]isoquinolin-2-yl)-N-hydroxyhexanamide.

Molecular Properties

Compound Name6-(1,3-dioxobenzo[de]isoquinolin-2-yl)-N-hydroxyhexanamide
PubChem CID5186
Molecular FormulaC18H18N2O4
Molecular Weight326.35 g/mol
Exact Mass326.13
IUPAC Name6-(1,3-dioxobenzo[de]isoquinolin-2-yl)-N-hydroxyhexanamide
SMILESO=C(CCCCCN1C(=O)c2cccc3cccc(c23)C1=O)NO
InChIInChI=1S/C18H18N2O4/c21-15(19-24)10-2-1-3-11-20-17(22)13-8-4-6-12-7-5-9-14(16(12)13)18(20)23/h4-9,24H,1-3,10-11H2,(H,19,21)
InChIKeyJTDYUFSDZATMKU-UHFFFAOYSA-N
XLogP2.50
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.35
LogP ≤ 52.50
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

4-(1,3-dioxobenzo[de]isoquinolin-2-yl)-N-methylbutanamide
CID 3276380
4-(1,3-dioxobenzo[de]isoquinolin-2-yl)-N-(2-hydroxyethyl)butanamide
CID 2922128
3-[4-(1,3-dioxobenzo[de]isoquinolin-2-yl)butanoylamino]propanoic acid
CID 119351013
4-(1,3-dioxobenzo[de]isoquinolin-2-yl)-N-[2-(methylamino)ethyl]butanamide
CID 119500481
4-(1,3-dioxobenzo[de]isoquinolin-2-yl)-N-pentan-3-ylbutanamide
CID 4810982
6-(1,3-dioxobenzo[de]isoquinolin-2-yl)-N-(1,3-thiazol-2-yl)hexanamide
CID 3111817
5-(2-oxobenzo[cd]indol-1-yl)pentanehydrazide
CID 63578287
sodium 4-(1,3-dioxobenzo[de]isoquinolin-2-yl)butanoate
CID 23680122
6-[1,3-dioxo-6-(propylamino)benzo[de]isoquinolin-2-yl]-N-hydroxyhexanamide
CID 155537473
6-[(5Z)-5-ethylidene-4-methyl-1,3-dioxoisoquinolin-2-yl]-N-hydroxyhexanamide
CID 144791056
2-(4-aminobutyl)benzo[de]isoquinoline-1,3-dione
CID 11623143
4-(1,3-dioxobenzo[de]isoquinolin-2-yl)-N-[4-(2-methylpropanoylamino)phenyl]butanamide
CID 42120764

Frequently Asked Questions

What is the IUPAC name of 6-(1,3-dioxobenzo[de]isoquinolin-2-yl)-N-hydroxyhexanamide?
The IUPAC name of 6-(1,3-dioxobenzo[de]isoquinolin-2-yl)-N-hydroxyhexanamide (CID 5186) is 6-(1,3-dioxobenzo[de]isoquinolin-2-yl)-N-hydroxyhexanamide.
What is the SMILES notation for 6-(1,3-dioxobenzo[de]isoquinolin-2-yl)-N-hydroxyhexanamide?
The canonical SMILES for 6-(1,3-dioxobenzo[de]isoquinolin-2-yl)-N-hydroxyhexanamide is O=C(CCCCCN1C(=O)c2cccc3cccc(c23)C1=O)NO.
What is the InChIKey of 6-(1,3-dioxobenzo[de]isoquinolin-2-yl)-N-hydroxyhexanamide?
The InChIKey is JTDYUFSDZATMKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O4/c21-15(19-24)10-2-1-3-11-20-17(22)13-8-4-6-12-7-5-9-14(16(12)13)18(20)23/h4-9,24H,1-3,10-11H2,(H,19,21).
What are the key properties of 6-(1,3-dioxobenzo[de]isoquinolin-2-yl)-N-hydroxyhexanamide?
6-(1,3-dioxobenzo[de]isoquinolin-2-yl)-N-hydroxyhexanamide has a molecular weight of 326.35 g/mol, XLogP of 2.50, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,3-dioxobenzo[de]isoquinolin-2-yl)-N-hydroxyhexanamide is sourced from PubChem (CID 5186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).