N-(5,8,14-trioxo-13H-naphtho[2,3-c]acridin-6-yl)benzamide

C28H16N2O4 — CID 20781477

IUPACN-(5,8,14-trioxo-13H-naphtho[2,3-c]acridin-6-yl)benzamide
SMILESO=C(Nc1cc2c(=O)c3ccccc3[nH]c2c2c1C(=O)c1ccccc1C2=O)c1ccccc1
InChIInChI=1S/C28H16N2O4/c31-25-18-12-6-7-13-20(18)29-24-19(25)14-21(30-28(34)15-8-2-1-3-9-15)22-23(24)27(33)17-11-5-4-10-16(17)26(22)32/h1-14H,(H,29,31)(H,30,34)
InChIKeyVLWUNUMGBNJPII-UHFFFAOYSA-N
MW444.45 g/mol
LogP4.71
Rot. Bonds2

About N-(5,8,14-trioxo-13H-naphtho[2,3-c]acridin-6-yl)benzamide

N-(5,8,14-trioxo-13H-naphtho[2,3-c]acridin-6-yl)benzamide (PubChem CID 20781477) has the molecular formula C28H16N2O4 and a molecular weight of 444.45 g/mol. Its IUPAC name is N-(5,8,14-trioxo-13H-naphtho[2,3-c]acridin-6-yl)benzamide.

Molecular Properties

Compound NameN-(5,8,14-trioxo-13H-naphtho[2,3-c]acridin-6-yl)benzamide
PubChem CID20781477
Molecular FormulaC28H16N2O4
Molecular Weight444.45 g/mol
Exact Mass444.11
IUPAC NameN-(5,8,14-trioxo-13H-naphtho[2,3-c]acridin-6-yl)benzamide
SMILESO=C(Nc1cc2c(=O)c3ccccc3[nH]c2c2c1C(=O)c1ccccc1C2=O)c1ccccc1
InChIInChI=1S/C28H16N2O4/c31-25-18-12-6-7-13-20(18)29-24-19(25)14-21(30-28(34)15-8-2-1-3-9-15)22-23(24)27(33)17-11-5-4-10-16(17)26(22)32/h1-14H,(H,29,31)(H,30,34)
InChIKeyVLWUNUMGBNJPII-UHFFFAOYSA-N
XLogP4.71
TPSA96.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.45
LogP ≤ 54.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze N-(5,8,14-trioxo-13H-naphtho[2,3-c]acridin-6-yl)benzamide 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-(5,8,14-trioxo-13H-naphtho[2,3-c]acridin-6-yl)benzamide?
The IUPAC name of N-(5,8,14-trioxo-13H-naphtho[2,3-c]acridin-6-yl)benzamide (CID 20781477) is N-(5,8,14-trioxo-13H-naphtho[2,3-c]acridin-6-yl)benzamide.
What is the SMILES notation for N-(5,8,14-trioxo-13H-naphtho[2,3-c]acridin-6-yl)benzamide?
The canonical SMILES for N-(5,8,14-trioxo-13H-naphtho[2,3-c]acridin-6-yl)benzamide is O=C(Nc1cc2c(=O)c3ccccc3[nH]c2c2c1C(=O)c1ccccc1C2=O)c1ccccc1.
What is the InChIKey of N-(5,8,14-trioxo-13H-naphtho[2,3-c]acridin-6-yl)benzamide?
The InChIKey is VLWUNUMGBNJPII-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H16N2O4/c31-25-18-12-6-7-13-20(18)29-24-19(25)14-21(30-28(34)15-8-2-1-3-9-15)22-23(24)27(33)17-11-5-4-10-16(17)26(22)32/h1-14H,(H,29,31)(H,30,34).
What are the key properties of N-(5,8,14-trioxo-13H-naphtho[2,3-c]acridin-6-yl)benzamide?
N-(5,8,14-trioxo-13H-naphtho[2,3-c]acridin-6-yl)benzamide has a molecular weight of 444.45 g/mol, XLogP of 4.71, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,8,14-trioxo-13H-naphtho[2,3-c]acridin-6-yl)benzamide is sourced from PubChem (CID 20781477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).