2-quinolin-6-ylbenzo[de]isoquinoline-1,3-dione

C21H12N2O2 — CID 2055089

IUPAC2-quinolin-6-ylbenzo[de]isoquinoline-1,3-dione
SMILESO=C1c2cccc3cccc(c23)C(=O)N1c1ccc2ncccc2c1
InChIInChI=1S/C21H12N2O2/c24-20-16-7-1-4-13-5-2-8-17(19(13)16)21(25)23(20)15-9-10-18-14(12-15)6-3-11-22-18/h1-12H
InChIKeyAQTWMUUOCRXCPX-UHFFFAOYSA-N
MW324.34 g/mol
LogP4.19
Rot. Bonds1

About 2-quinolin-6-ylbenzo[de]isoquinoline-1,3-dione

2-quinolin-6-ylbenzo[de]isoquinoline-1,3-dione (PubChem CID 2055089) has the molecular formula C21H12N2O2 and a molecular weight of 324.34 g/mol. Its IUPAC name is 2-quinolin-6-ylbenzo[de]isoquinoline-1,3-dione.

Molecular Properties

Compound Name2-quinolin-6-ylbenzo[de]isoquinoline-1,3-dione
PubChem CID2055089
Molecular FormulaC21H12N2O2
Molecular Weight324.34 g/mol
Exact Mass324.09
IUPAC Name2-quinolin-6-ylbenzo[de]isoquinoline-1,3-dione
SMILESO=C1c2cccc3cccc(c23)C(=O)N1c1ccc2ncccc2c1
InChIInChI=1S/C21H12N2O2/c24-20-16-7-1-4-13-5-2-8-17(19(13)16)21(25)23(20)15-9-10-18-14(12-15)6-3-11-22-18/h1-12H
InChIKeyAQTWMUUOCRXCPX-UHFFFAOYSA-N
XLogP4.19
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.34
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

((2R,4S)-2-Benzyl-4-((quinolin-4-ylmethyl)amino)piperidin-1-yl)(3,5-dimethylphenyl)methanone
CID 9869033
15-Pgdh-IN-1
CID 135300446
4-methyl-3-(2-(quinolin-3-yl)ethynyl)-N-(3-(trifluoromethyl)-phenyl)benzamide
CID 16109040
Quinolinium dibromide
CID 162087
6-Nitro-2-(pyridin-3-ylmethyl)benzo[de]isoquinoline-1,3-dione
CID 305244
1-Methyl-4-{[4-({4-[(1-methylpyridinium-4-yl)amino]phenyl}carbamoyl)phenyl]amino}quinolinium
CID 128904
XR-9577
CID 15950351
N-(quinolin-6-yl)benzamide
CID 833617
N,N-diethyl-4-[[1-[(4-fluorophenyl)methyl]piperidin-4-ylidene]-quinolin-8-ylmethyl]benzamide
CID 57398678
4-Phenyl-quinoline-3-carboxylic acid (3,5-bis-trifluoromethyl-benzyl)-methyl-amide
CID 11248796
N-[4-(4-phenylpiperazin-1-yl)butyl]quinoline-6-carboxamide
CID 24769156
4-methyl-N-quinolin-6-ylbenzamide
CID 1506500

Frequently Asked Questions

What is the IUPAC name of 2-quinolin-6-ylbenzo[de]isoquinoline-1,3-dione?
The IUPAC name of 2-quinolin-6-ylbenzo[de]isoquinoline-1,3-dione (CID 2055089) is 2-quinolin-6-ylbenzo[de]isoquinoline-1,3-dione.
What is the SMILES notation for 2-quinolin-6-ylbenzo[de]isoquinoline-1,3-dione?
The canonical SMILES for 2-quinolin-6-ylbenzo[de]isoquinoline-1,3-dione is O=C1c2cccc3cccc(c23)C(=O)N1c1ccc2ncccc2c1.
What is the InChIKey of 2-quinolin-6-ylbenzo[de]isoquinoline-1,3-dione?
The InChIKey is AQTWMUUOCRXCPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H12N2O2/c24-20-16-7-1-4-13-5-2-8-17(19(13)16)21(25)23(20)15-9-10-18-14(12-15)6-3-11-22-18/h1-12H.
What are the key properties of 2-quinolin-6-ylbenzo[de]isoquinoline-1,3-dione?
2-quinolin-6-ylbenzo[de]isoquinoline-1,3-dione has a molecular weight of 324.34 g/mol, XLogP of 4.19, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-quinolin-6-ylbenzo[de]isoquinoline-1,3-dione is sourced from PubChem (CID 2055089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).