6-(naphthalen-1-ylmethylidene)-7,8-dihydro-1H-quinoline-2,5-dione

C20H15NO2 — CID 91943336

IUPAC6-(naphthalen-1-ylmethylidene)-7,8-dihydro-1H-quinoline-2,5-dione
SMILESO=C1C(=Cc2cccc3ccccc23)CCc2[nH]c(=O)ccc21
InChIInChI=1S/C20H15NO2/c22-19-11-9-17-18(21-19)10-8-15(20(17)23)12-14-6-3-5-13-4-1-2-7-16(13)14/h1-7,9,11-12H,8,10H2,(H,21,22)
InChIKeyPRUBSPGPWISKEN-UHFFFAOYSA-N
MW301.35 g/mol
LogP3.74
Rot. Bonds1

About 6-(naphthalen-1-ylmethylidene)-7,8-dihydro-1H-quinoline-2,5-dione

6-(naphthalen-1-ylmethylidene)-7,8-dihydro-1H-quinoline-2,5-dione (PubChem CID 91943336) has the molecular formula C20H15NO2 and a molecular weight of 301.35 g/mol. Its IUPAC name is 6-(naphthalen-1-ylmethylidene)-7,8-dihydro-1H-quinoline-2,5-dione.

Molecular Properties

Compound Name6-(naphthalen-1-ylmethylidene)-7,8-dihydro-1H-quinoline-2,5-dione
PubChem CID91943336
Molecular FormulaC20H15NO2
Molecular Weight301.35 g/mol
Exact Mass301.11
IUPAC Name6-(naphthalen-1-ylmethylidene)-7,8-dihydro-1H-quinoline-2,5-dione
SMILESO=C1C(=Cc2cccc3ccccc23)CCc2[nH]c(=O)ccc21
InChIInChI=1S/C20H15NO2/c22-19-11-9-17-18(21-19)10-8-15(20(17)23)12-14-6-3-5-13-4-1-2-7-16(13)14/h1-7,9,11-12H,8,10H2,(H,21,22)
InChIKeyPRUBSPGPWISKEN-UHFFFAOYSA-N
XLogP3.74
TPSA49.93 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 6-(naphthalen-1-ylmethylidene)-7,8-dihydro-1H-quinoline-2,5-dione 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 6-(naphthalen-1-ylmethylidene)-7,8-dihydro-1H-quinoline-2,5-dione?
The IUPAC name of 6-(naphthalen-1-ylmethylidene)-7,8-dihydro-1H-quinoline-2,5-dione (CID 91943336) is 6-(naphthalen-1-ylmethylidene)-7,8-dihydro-1H-quinoline-2,5-dione.
What is the SMILES notation for 6-(naphthalen-1-ylmethylidene)-7,8-dihydro-1H-quinoline-2,5-dione?
The canonical SMILES for 6-(naphthalen-1-ylmethylidene)-7,8-dihydro-1H-quinoline-2,5-dione is O=C1C(=Cc2cccc3ccccc23)CCc2[nH]c(=O)ccc21.
What is the InChIKey of 6-(naphthalen-1-ylmethylidene)-7,8-dihydro-1H-quinoline-2,5-dione?
The InChIKey is PRUBSPGPWISKEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15NO2/c22-19-11-9-17-18(21-19)10-8-15(20(17)23)12-14-6-3-5-13-4-1-2-7-16(13)14/h1-7,9,11-12H,8,10H2,(H,21,22).
What are the key properties of 6-(naphthalen-1-ylmethylidene)-7,8-dihydro-1H-quinoline-2,5-dione?
6-(naphthalen-1-ylmethylidene)-7,8-dihydro-1H-quinoline-2,5-dione has a molecular weight of 301.35 g/mol, XLogP of 3.74, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(naphthalen-1-ylmethylidene)-7,8-dihydro-1H-quinoline-2,5-dione is sourced from PubChem (CID 91943336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).