4-(1,6,11-trioxo-3,4,5,12-tetrahydro-2H-benzo[b]acridin-12-yl)benzamide

C24H18N2O4 — CID 72948644

IUPAC4-(1,6,11-trioxo-3,4,5,12-tetrahydro-2H-benzo[b]acridin-12-yl)benzamide
SMILESNC(=O)c1ccc(C2C3=C(CCCC3=O)NC3=C2C(=O)c2ccccc2C3=O)cc1
InChIInChI=1S/C24H18N2O4/c25-24(30)13-10-8-12(9-11-13)18-19-16(6-3-7-17(19)27)26-21-20(18)22(28)14-4-1-2-5-15(14)23(21)29/h1-2,4-5,8-11,18,26H,3,6-7H2,(H2,25,30)
InChIKeySBPRNULSOLQLNJ-UHFFFAOYSA-N
MW398.42 g/mol
LogP2.81
Rot. Bonds2

About 4-(1,6,11-trioxo-3,4,5,12-tetrahydro-2H-benzo[b]acridin-12-yl)benzamide

4-(1,6,11-trioxo-3,4,5,12-tetrahydro-2H-benzo[b]acridin-12-yl)benzamide (PubChem CID 72948644) has the molecular formula C24H18N2O4 and a molecular weight of 398.42 g/mol. Its IUPAC name is 4-(1,6,11-trioxo-3,4,5,12-tetrahydro-2H-benzo[b]acridin-12-yl)benzamide.

Molecular Properties

Compound Name4-(1,6,11-trioxo-3,4,5,12-tetrahydro-2H-benzo[b]acridin-12-yl)benzamide
PubChem CID72948644
Molecular FormulaC24H18N2O4
Molecular Weight398.42 g/mol
Exact Mass398.13
IUPAC Name4-(1,6,11-trioxo-3,4,5,12-tetrahydro-2H-benzo[b]acridin-12-yl)benzamide
SMILESNC(=O)c1ccc(C2C3=C(CCCC3=O)NC3=C2C(=O)c2ccccc2C3=O)cc1
InChIInChI=1S/C24H18N2O4/c25-24(30)13-10-8-12(9-11-13)18-19-16(6-3-7-17(19)27)26-21-20(18)22(28)14-4-1-2-5-15(14)23(21)29/h1-2,4-5,8-11,18,26H,3,6-7H2,(H2,25,30)
InChIKeySBPRNULSOLQLNJ-UHFFFAOYSA-N
XLogP2.81
TPSA106.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.42
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-(1,6,11-trioxo-3,4,5,12-tetrahydro-2H-benzo[b]acridin-12-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 4-(1,6,11-trioxo-3,4,5,12-tetrahydro-2H-benzo[b]acridin-12-yl)benzamide?
The IUPAC name of 4-(1,6,11-trioxo-3,4,5,12-tetrahydro-2H-benzo[b]acridin-12-yl)benzamide (CID 72948644) is 4-(1,6,11-trioxo-3,4,5,12-tetrahydro-2H-benzo[b]acridin-12-yl)benzamide.
What is the SMILES notation for 4-(1,6,11-trioxo-3,4,5,12-tetrahydro-2H-benzo[b]acridin-12-yl)benzamide?
The canonical SMILES for 4-(1,6,11-trioxo-3,4,5,12-tetrahydro-2H-benzo[b]acridin-12-yl)benzamide is NC(=O)c1ccc(C2C3=C(CCCC3=O)NC3=C2C(=O)c2ccccc2C3=O)cc1.
What is the InChIKey of 4-(1,6,11-trioxo-3,4,5,12-tetrahydro-2H-benzo[b]acridin-12-yl)benzamide?
The InChIKey is SBPRNULSOLQLNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N2O4/c25-24(30)13-10-8-12(9-11-13)18-19-16(6-3-7-17(19)27)26-21-20(18)22(28)14-4-1-2-5-15(14)23(21)29/h1-2,4-5,8-11,18,26H,3,6-7H2,(H2,25,30).
What are the key properties of 4-(1,6,11-trioxo-3,4,5,12-tetrahydro-2H-benzo[b]acridin-12-yl)benzamide?
4-(1,6,11-trioxo-3,4,5,12-tetrahydro-2H-benzo[b]acridin-12-yl)benzamide has a molecular weight of 398.42 g/mol, XLogP of 2.81, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,6,11-trioxo-3,4,5,12-tetrahydro-2H-benzo[b]acridin-12-yl)benzamide is sourced from PubChem (CID 72948644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).