10-phenyl-7,8,10,10a-tetrahydro-6H-indeno[1,2-b]quinoline-9,11-dione

C22H17NO2 — CID 2856914

IUPAC10-phenyl-7,8,10,10a-tetrahydro-6H-indeno[1,2-b]quinoline-9,11-dione
SMILESO=C1CCCC2=C1C(c1ccccc1)C1C(=O)c3ccccc3C1=N2
InChIInChI=1S/C22H17NO2/c24-17-12-6-11-16-19(17)18(13-7-2-1-3-8-13)20-21(23-16)14-9-4-5-10-15(14)22(20)25/h1-5,7-10,18,20H,6,11-12H2
InChIKeyCJFWICNRVVUMQB-UHFFFAOYSA-N
MW327.38 g/mol
LogP4.09
Rot. Bonds1

About 10-phenyl-7,8,10,10a-tetrahydro-6H-indeno[1,2-b]quinoline-9,11-dione

10-phenyl-7,8,10,10a-tetrahydro-6H-indeno[1,2-b]quinoline-9,11-dione (PubChem CID 2856914) has the molecular formula C22H17NO2 and a molecular weight of 327.38 g/mol. Its IUPAC name is 10-phenyl-7,8,10,10a-tetrahydro-6H-indeno[1,2-b]quinoline-9,11-dione.

Molecular Properties

Compound Name10-phenyl-7,8,10,10a-tetrahydro-6H-indeno[1,2-b]quinoline-9,11-dione
PubChem CID2856914
Molecular FormulaC22H17NO2
Molecular Weight327.38 g/mol
Exact Mass327.13
IUPAC Name10-phenyl-7,8,10,10a-tetrahydro-6H-indeno[1,2-b]quinoline-9,11-dione
SMILESO=C1CCCC2=C1C(c1ccccc1)C1C(=O)c3ccccc3C1=N2
InChIInChI=1S/C22H17NO2/c24-17-12-6-11-16-19(17)18(13-7-2-1-3-8-13)20-21(23-16)14-9-4-5-10-15(14)22(20)25/h1-5,7-10,18,20H,6,11-12H2
InChIKeyCJFWICNRVVUMQB-UHFFFAOYSA-N
XLogP4.09
TPSA46.50 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'keto_phenone_B(1)', 'substructure': 'N/A'}

Analyze 10-phenyl-7,8,10,10a-tetrahydro-6H-indeno[1,2-b]quinoline-9,11-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 10-phenyl-7,8,10,10a-tetrahydro-6H-indeno[1,2-b]quinoline-9,11-dione?
The IUPAC name of 10-phenyl-7,8,10,10a-tetrahydro-6H-indeno[1,2-b]quinoline-9,11-dione (CID 2856914) is 10-phenyl-7,8,10,10a-tetrahydro-6H-indeno[1,2-b]quinoline-9,11-dione.
What is the SMILES notation for 10-phenyl-7,8,10,10a-tetrahydro-6H-indeno[1,2-b]quinoline-9,11-dione?
The canonical SMILES for 10-phenyl-7,8,10,10a-tetrahydro-6H-indeno[1,2-b]quinoline-9,11-dione is O=C1CCCC2=C1C(c1ccccc1)C1C(=O)c3ccccc3C1=N2.
What is the InChIKey of 10-phenyl-7,8,10,10a-tetrahydro-6H-indeno[1,2-b]quinoline-9,11-dione?
The InChIKey is CJFWICNRVVUMQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17NO2/c24-17-12-6-11-16-19(17)18(13-7-2-1-3-8-13)20-21(23-16)14-9-4-5-10-15(14)22(20)25/h1-5,7-10,18,20H,6,11-12H2.
What are the key properties of 10-phenyl-7,8,10,10a-tetrahydro-6H-indeno[1,2-b]quinoline-9,11-dione?
10-phenyl-7,8,10,10a-tetrahydro-6H-indeno[1,2-b]quinoline-9,11-dione has a molecular weight of 327.38 g/mol, XLogP of 4.09, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-phenyl-7,8,10,10a-tetrahydro-6H-indeno[1,2-b]quinoline-9,11-dione is sourced from PubChem (CID 2856914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).