N-hydroxy-6-(6-morpholin-4-yl-1,3-dioxobenzo[de]isoquinolin-2-yl)hexanamide

C22H25N3O5 — CID 122376192

IUPACN-hydroxy-6-(6-morpholin-4-yl-1,3-dioxobenzo[de]isoquinolin-2-yl)hexanamide
SMILESO=C(CCCCCN1C(=O)c2cccc3c(N4CCOCC4)ccc(c23)C1=O)NO
InChIInChI=1S/C22H25N3O5/c26-19(23-29)7-2-1-3-10-25-21(27)16-6-4-5-15-18(24-11-13-30-14-12-24)9-8-17(20(15)16)22(25)28/h4-6,8-9,29H,1-3,7,10-14H2,(H,23,26)
InChIKeyAIUHSHXJFPMLPM-UHFFFAOYSA-N
MW411.46 g/mol
LogP2.34
Rot. Bonds7

About N-hydroxy-6-(6-morpholin-4-yl-1,3-dioxobenzo[de]isoquinolin-2-yl)hexanamide

N-hydroxy-6-(6-morpholin-4-yl-1,3-dioxobenzo[de]isoquinolin-2-yl)hexanamide (PubChem CID 122376192) has the molecular formula C22H25N3O5 and a molecular weight of 411.46 g/mol. Its IUPAC name is N-hydroxy-6-(6-morpholin-4-yl-1,3-dioxobenzo[de]isoquinolin-2-yl)hexanamide.

Molecular Properties

Compound NameN-hydroxy-6-(6-morpholin-4-yl-1,3-dioxobenzo[de]isoquinolin-2-yl)hexanamide
PubChem CID122376192
Molecular FormulaC22H25N3O5
Molecular Weight411.46 g/mol
Exact Mass411.18
IUPAC NameN-hydroxy-6-(6-morpholin-4-yl-1,3-dioxobenzo[de]isoquinolin-2-yl)hexanamide
SMILESO=C(CCCCCN1C(=O)c2cccc3c(N4CCOCC4)ccc(c23)C1=O)NO
InChIInChI=1S/C22H25N3O5/c26-19(23-29)7-2-1-3-10-25-21(27)16-6-4-5-15-18(24-11-13-30-14-12-24)9-8-17(20(15)16)22(25)28/h4-6,8-9,29H,1-3,7,10-14H2,(H,23,26)
InChIKeyAIUHSHXJFPMLPM-UHFFFAOYSA-N
XLogP2.34
TPSA99.18 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.46
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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'}

Analyze N-hydroxy-6-(6-morpholin-4-yl-1,3-dioxobenzo[de]isoquinolin-2-yl)hexanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-6-(6-morpholin-4-yl-1,3-dioxobenzo[de]isoquinolin-2-yl)hexanamide?
The IUPAC name of N-hydroxy-6-(6-morpholin-4-yl-1,3-dioxobenzo[de]isoquinolin-2-yl)hexanamide (CID 122376192) is N-hydroxy-6-(6-morpholin-4-yl-1,3-dioxobenzo[de]isoquinolin-2-yl)hexanamide.
What is the SMILES notation for N-hydroxy-6-(6-morpholin-4-yl-1,3-dioxobenzo[de]isoquinolin-2-yl)hexanamide?
The canonical SMILES for N-hydroxy-6-(6-morpholin-4-yl-1,3-dioxobenzo[de]isoquinolin-2-yl)hexanamide is O=C(CCCCCN1C(=O)c2cccc3c(N4CCOCC4)ccc(c23)C1=O)NO.
What is the InChIKey of N-hydroxy-6-(6-morpholin-4-yl-1,3-dioxobenzo[de]isoquinolin-2-yl)hexanamide?
The InChIKey is AIUHSHXJFPMLPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O5/c26-19(23-29)7-2-1-3-10-25-21(27)16-6-4-5-15-18(24-11-13-30-14-12-24)9-8-17(20(15)16)22(25)28/h4-6,8-9,29H,1-3,7,10-14H2,(H,23,26).
What are the key properties of N-hydroxy-6-(6-morpholin-4-yl-1,3-dioxobenzo[de]isoquinolin-2-yl)hexanamide?
N-hydroxy-6-(6-morpholin-4-yl-1,3-dioxobenzo[de]isoquinolin-2-yl)hexanamide has a molecular weight of 411.46 g/mol, XLogP of 2.34, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-6-(6-morpholin-4-yl-1,3-dioxobenzo[de]isoquinolin-2-yl)hexanamide is sourced from PubChem (CID 122376192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).