[7-(4-aminobenzoyl)oxynaphthalen-2-yl] 4-aminobenzoate

C24H18N2O4 — CID 59364747

IUPAC[7-(4-aminobenzoyl)oxynaphthalen-2-yl] 4-aminobenzoate
SMILESNc1ccc(C(=O)Oc2ccc3ccc(OC(=O)c4ccc(N)cc4)cc3c2)cc1
InChIInChI=1S/C24H18N2O4/c25-19-7-1-16(2-8-19)23(27)29-21-11-5-15-6-12-22(14-18(15)13-21)30-24(28)17-3-9-20(26)10-4-17/h1-14H,25-26H2
InChIKeyBBSBGYSAULMZHN-UHFFFAOYSA-N
MW398.42 g/mol
LogP4.44
Rot. Bonds4

About [7-(4-aminobenzoyl)oxynaphthalen-2-yl] 4-aminobenzoate

[7-(4-aminobenzoyl)oxynaphthalen-2-yl] 4-aminobenzoate (PubChem CID 59364747) has the molecular formula C24H18N2O4 and a molecular weight of 398.42 g/mol. Its IUPAC name is [7-(4-aminobenzoyl)oxynaphthalen-2-yl] 4-aminobenzoate.

Molecular Properties

Compound Name[7-(4-aminobenzoyl)oxynaphthalen-2-yl] 4-aminobenzoate
PubChem CID59364747
Molecular FormulaC24H18N2O4
Molecular Weight398.42 g/mol
Exact Mass398.13
IUPAC Name[7-(4-aminobenzoyl)oxynaphthalen-2-yl] 4-aminobenzoate
SMILESNc1ccc(C(=O)Oc2ccc3ccc(OC(=O)c4ccc(N)cc4)cc3c2)cc1
InChIInChI=1S/C24H18N2O4/c25-19-7-1-16(2-8-19)23(27)29-21-11-5-15-6-12-22(14-18(15)13-21)30-24(28)17-3-9-20(26)10-4-17/h1-14H,25-26H2
InChIKeyBBSBGYSAULMZHN-UHFFFAOYSA-N
XLogP4.44
TPSA104.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.42
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze [7-(4-aminobenzoyl)oxynaphthalen-2-yl] 4-aminobenzoate 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 [7-(4-aminobenzoyl)oxynaphthalen-2-yl] 4-aminobenzoate?
The IUPAC name of [7-(4-aminobenzoyl)oxynaphthalen-2-yl] 4-aminobenzoate (CID 59364747) is [7-(4-aminobenzoyl)oxynaphthalen-2-yl] 4-aminobenzoate.
What is the SMILES notation for [7-(4-aminobenzoyl)oxynaphthalen-2-yl] 4-aminobenzoate?
The canonical SMILES for [7-(4-aminobenzoyl)oxynaphthalen-2-yl] 4-aminobenzoate is Nc1ccc(C(=O)Oc2ccc3ccc(OC(=O)c4ccc(N)cc4)cc3c2)cc1.
What is the InChIKey of [7-(4-aminobenzoyl)oxynaphthalen-2-yl] 4-aminobenzoate?
The InChIKey is BBSBGYSAULMZHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N2O4/c25-19-7-1-16(2-8-19)23(27)29-21-11-5-15-6-12-22(14-18(15)13-21)30-24(28)17-3-9-20(26)10-4-17/h1-14H,25-26H2.
What are the key properties of [7-(4-aminobenzoyl)oxynaphthalen-2-yl] 4-aminobenzoate?
[7-(4-aminobenzoyl)oxynaphthalen-2-yl] 4-aminobenzoate has a molecular weight of 398.42 g/mol, XLogP of 4.44, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [7-(4-aminobenzoyl)oxynaphthalen-2-yl] 4-aminobenzoate is sourced from PubChem (CID 59364747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).