acridine-1,2-dione;quinoline

C22H14N2O2 — CID 174809652

IUPACacridine-1,2-dione;quinoline
SMILESO=C1C=Cc2nc3ccccc3cc2C1=O.c1ccc2ncccc2c1
InChIInChI=1S/C13H7NO2.C9H7N/c15-12-6-5-11-9(13(12)16)7-8-3-1-2-4-10(8)14-11;1-2-6-9-8(4-1)5-3-7-10-9/h1-7H;1-7H
InChIKeyXRRUHEBCYJAAIM-UHFFFAOYSA-N
MW338.37 g/mol
LogP4.25
Rot. Bonds

About acridine-1,2-dione;quinoline

acridine-1,2-dione;quinoline (PubChem CID 174809652) has the molecular formula C22H14N2O2 and a molecular weight of 338.37 g/mol. Its IUPAC name is acridine-1,2-dione;quinoline.

Molecular Properties

Compound Nameacridine-1,2-dione;quinoline
PubChem CID174809652
Molecular FormulaC22H14N2O2
Molecular Weight338.37 g/mol
Exact Mass338.11
IUPAC Nameacridine-1,2-dione;quinoline
SMILESO=C1C=Cc2nc3ccccc3cc2C1=O.c1ccc2ncccc2c1
InChIInChI=1S/C13H7NO2.C9H7N/c15-12-6-5-11-9(13(12)16)7-8-3-1-2-4-10(8)14-11;1-2-6-9-8(4-1)5-3-7-10-9/h1-7H;1-7H
InChIKeyXRRUHEBCYJAAIM-UHFFFAOYSA-N
XLogP4.25
TPSA59.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.37
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'quinone_D(2)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze acridine-1,2-dione;quinoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

quinolino[3,2-a]acridine-1,2-dione
CID 164521967
quinoline
CID 76974643
CID 159709187
CID 159709187
quinoline;silver
CID 88761492
osmium(2+);quinoline
CID 158407120
CID 175273158
CID 175273158
hydron;quinoline
CID 131854096
platinum(2+);quinoline
CID 50910245
bis(phosphoryl trichloride);quinoline
CID 162140508
2-hydroxycyclohexa-2,5-diene-1,4-dione;quinoline
CID 174931052
ethene;formaldehyde;quinoline
CID 142226527
quinoline;quinoxaline
CID 66672759

Frequently Asked Questions

What is the IUPAC name of acridine-1,2-dione;quinoline?
The IUPAC name of acridine-1,2-dione;quinoline (CID 174809652) is acridine-1,2-dione;quinoline.
What is the SMILES notation for acridine-1,2-dione;quinoline?
The canonical SMILES for acridine-1,2-dione;quinoline is O=C1C=Cc2nc3ccccc3cc2C1=O.c1ccc2ncccc2c1.
What is the InChIKey of acridine-1,2-dione;quinoline?
The InChIKey is XRRUHEBCYJAAIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7NO2.C9H7N/c15-12-6-5-11-9(13(12)16)7-8-3-1-2-4-10(8)14-11;1-2-6-9-8(4-1)5-3-7-10-9/h1-7H;1-7H.
What are the key properties of acridine-1,2-dione;quinoline?
acridine-1,2-dione;quinoline has a molecular weight of 338.37 g/mol, XLogP of 4.25, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for acridine-1,2-dione;quinoline is sourced from PubChem (CID 174809652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).