5-(4-aminophenoxy)-2-naphthalen-1-ylisoindole-1,3-dione

C24H16N2O3 — CID 1243444

IUPAC5-(4-aminophenoxy)-2-naphthalen-1-ylisoindole-1,3-dione
SMILESNc1ccc(Oc2ccc3c(c2)C(=O)N(c2cccc4ccccc24)C3=O)cc1
InChIInChI=1S/C24H16N2O3/c25-16-8-10-17(11-9-16)29-18-12-13-20-21(14-18)24(28)26(23(20)27)22-7-3-5-15-4-1-2-6-19(15)22/h1-14H,25H2
InChIKeyGUIGVVYNPFCMSZ-UHFFFAOYSA-N
MW380.40 g/mol
LogP5.01
Rot. Bonds3

About 5-(4-aminophenoxy)-2-naphthalen-1-ylisoindole-1,3-dione

5-(4-aminophenoxy)-2-naphthalen-1-ylisoindole-1,3-dione (PubChem CID 1243444) has the molecular formula C24H16N2O3 and a molecular weight of 380.40 g/mol. Its IUPAC name is 5-(4-aminophenoxy)-2-naphthalen-1-ylisoindole-1,3-dione.

Molecular Properties

Compound Name5-(4-aminophenoxy)-2-naphthalen-1-ylisoindole-1,3-dione
PubChem CID1243444
Molecular FormulaC24H16N2O3
Molecular Weight380.40 g/mol
Exact Mass380.12
IUPAC Name5-(4-aminophenoxy)-2-naphthalen-1-ylisoindole-1,3-dione
SMILESNc1ccc(Oc2ccc3c(c2)C(=O)N(c2cccc4ccccc24)C3=O)cc1
InChIInChI=1S/C24H16N2O3/c25-16-8-10-17(11-9-16)29-18-12-13-20-21(14-18)24(28)26(23(20)27)22-7-3-5-15-4-1-2-6-19(15)22/h1-14H,25H2
InChIKeyGUIGVVYNPFCMSZ-UHFFFAOYSA-N
XLogP5.01
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.40
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', '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 5-(4-aminophenoxy)-2-naphthalen-1-ylisoindole-1,3-dione?
The IUPAC name of 5-(4-aminophenoxy)-2-naphthalen-1-ylisoindole-1,3-dione (CID 1243444) is 5-(4-aminophenoxy)-2-naphthalen-1-ylisoindole-1,3-dione.
What is the SMILES notation for 5-(4-aminophenoxy)-2-naphthalen-1-ylisoindole-1,3-dione?
The canonical SMILES for 5-(4-aminophenoxy)-2-naphthalen-1-ylisoindole-1,3-dione is Nc1ccc(Oc2ccc3c(c2)C(=O)N(c2cccc4ccccc24)C3=O)cc1.
What is the InChIKey of 5-(4-aminophenoxy)-2-naphthalen-1-ylisoindole-1,3-dione?
The InChIKey is GUIGVVYNPFCMSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16N2O3/c25-16-8-10-17(11-9-16)29-18-12-13-20-21(14-18)24(28)26(23(20)27)22-7-3-5-15-4-1-2-6-19(15)22/h1-14H,25H2.
What are the key properties of 5-(4-aminophenoxy)-2-naphthalen-1-ylisoindole-1,3-dione?
5-(4-aminophenoxy)-2-naphthalen-1-ylisoindole-1,3-dione has a molecular weight of 380.40 g/mol, XLogP of 5.01, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-aminophenoxy)-2-naphthalen-1-ylisoindole-1,3-dione is sourced from PubChem (CID 1243444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).