N-(2-aminophenyl)-6-(5-hydroxy-1,3-dioxobenzo[de]isoquinolin-2-yl)hexanamide

C24H23N3O4 — CID 10341900

IUPACN-(2-aminophenyl)-6-(5-hydroxy-1,3-dioxobenzo[de]isoquinolin-2-yl)hexanamide
SMILESNc1ccccc1NC(=O)CCCCCN1C(=O)c2cccc3cc(O)cc(c23)C1=O
InChIInChI=1S/C24H23N3O4/c25-19-9-3-4-10-20(19)26-21(29)11-2-1-5-12-27-23(30)17-8-6-7-15-13-16(28)14-18(22(15)17)24(27)31/h3-4,6-10,13-14,28H,1-2,5,11-12,25H2,(H,26,29)
InChIKeyIMXWDRAIHQOYTD-UHFFFAOYSA-N
MW417.47 g/mol
LogP3.92
Rot. Bonds7

About N-(2-aminophenyl)-6-(5-hydroxy-1,3-dioxobenzo[de]isoquinolin-2-yl)hexanamide

N-(2-aminophenyl)-6-(5-hydroxy-1,3-dioxobenzo[de]isoquinolin-2-yl)hexanamide (PubChem CID 10341900) has the molecular formula C24H23N3O4 and a molecular weight of 417.47 g/mol. Its IUPAC name is N-(2-aminophenyl)-6-(5-hydroxy-1,3-dioxobenzo[de]isoquinolin-2-yl)hexanamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-6-(5-hydroxy-1,3-dioxobenzo[de]isoquinolin-2-yl)hexanamide
PubChem CID10341900
Molecular FormulaC24H23N3O4
Molecular Weight417.47 g/mol
Exact Mass417.17
IUPAC NameN-(2-aminophenyl)-6-(5-hydroxy-1,3-dioxobenzo[de]isoquinolin-2-yl)hexanamide
SMILESNc1ccccc1NC(=O)CCCCCN1C(=O)c2cccc3cc(O)cc(c23)C1=O
InChIInChI=1S/C24H23N3O4/c25-19-9-3-4-10-20(19)26-21(29)11-2-1-5-12-27-23(30)17-8-6-7-15-13-16(28)14-18(22(15)17)24(27)31/h3-4,6-10,13-14,28H,1-2,5,11-12,25H2,(H,26,29)
InChIKeyIMXWDRAIHQOYTD-UHFFFAOYSA-N
XLogP3.92
TPSA112.73 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.47
LogP ≤ 53.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-6-(5-hydroxy-1,3-dioxobenzo[de]isoquinolin-2-yl)hexanamide?
The IUPAC name of N-(2-aminophenyl)-6-(5-hydroxy-1,3-dioxobenzo[de]isoquinolin-2-yl)hexanamide (CID 10341900) is N-(2-aminophenyl)-6-(5-hydroxy-1,3-dioxobenzo[de]isoquinolin-2-yl)hexanamide.
What is the SMILES notation for N-(2-aminophenyl)-6-(5-hydroxy-1,3-dioxobenzo[de]isoquinolin-2-yl)hexanamide?
The canonical SMILES for N-(2-aminophenyl)-6-(5-hydroxy-1,3-dioxobenzo[de]isoquinolin-2-yl)hexanamide is Nc1ccccc1NC(=O)CCCCCN1C(=O)c2cccc3cc(O)cc(c23)C1=O.
What is the InChIKey of N-(2-aminophenyl)-6-(5-hydroxy-1,3-dioxobenzo[de]isoquinolin-2-yl)hexanamide?
The InChIKey is IMXWDRAIHQOYTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O4/c25-19-9-3-4-10-20(19)26-21(29)11-2-1-5-12-27-23(30)17-8-6-7-15-13-16(28)14-18(22(15)17)24(27)31/h3-4,6-10,13-14,28H,1-2,5,11-12,25H2,(H,26,29).
What are the key properties of N-(2-aminophenyl)-6-(5-hydroxy-1,3-dioxobenzo[de]isoquinolin-2-yl)hexanamide?
N-(2-aminophenyl)-6-(5-hydroxy-1,3-dioxobenzo[de]isoquinolin-2-yl)hexanamide has a molecular weight of 417.47 g/mol, XLogP of 3.92, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-6-(5-hydroxy-1,3-dioxobenzo[de]isoquinolin-2-yl)hexanamide is sourced from PubChem (CID 10341900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).