6,6-dimethyl-2-(4-quinolin-3-ylphenyl)cyclohex-2-ene-1,4-dione

C23H19NO2 — CID 46904845

IUPAC6,6-dimethyl-2-(4-quinolin-3-ylphenyl)cyclohex-2-ene-1,4-dione
SMILESCC1(C)CC(=O)C=C(c2ccc(-c3cnc4ccccc4c3)cc2)C1=O
InChIInChI=1S/C23H19NO2/c1-23(2)13-19(25)12-20(22(23)26)16-9-7-15(8-10-16)18-11-17-5-3-4-6-21(17)24-14-18/h3-12,14H,13H2,1-2H3
InChIKeyOFVYGCLVPWTVFS-UHFFFAOYSA-N
MW341.41 g/mol
LogP4.85
Rot. Bonds2

About 6,6-dimethyl-2-(4-quinolin-3-ylphenyl)cyclohex-2-ene-1,4-dione

6,6-dimethyl-2-(4-quinolin-3-ylphenyl)cyclohex-2-ene-1,4-dione (PubChem CID 46904845) has the molecular formula C23H19NO2 and a molecular weight of 341.41 g/mol. Its IUPAC name is 6,6-dimethyl-2-(4-quinolin-3-ylphenyl)cyclohex-2-ene-1,4-dione.

Molecular Properties

Compound Name6,6-dimethyl-2-(4-quinolin-3-ylphenyl)cyclohex-2-ene-1,4-dione
PubChem CID46904845
Molecular FormulaC23H19NO2
Molecular Weight341.41 g/mol
Exact Mass341.14
IUPAC Name6,6-dimethyl-2-(4-quinolin-3-ylphenyl)cyclohex-2-ene-1,4-dione
SMILESCC1(C)CC(=O)C=C(c2ccc(-c3cnc4ccccc4c3)cc2)C1=O
InChIInChI=1S/C23H19NO2/c1-23(2)13-19(25)12-20(22(23)26)16-9-7-15(8-10-16)18-11-17-5-3-4-6-21(17)24-14-18/h3-12,14H,13H2,1-2H3
InChIKeyOFVYGCLVPWTVFS-UHFFFAOYSA-N
XLogP4.85
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 6,6-dimethyl-2-(4-quinolin-3-ylphenyl)cyclohex-2-ene-1,4-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 6,6-dimethyl-2-(4-quinolin-3-ylphenyl)cyclohex-2-ene-1,4-dione?
The IUPAC name of 6,6-dimethyl-2-(4-quinolin-3-ylphenyl)cyclohex-2-ene-1,4-dione (CID 46904845) is 6,6-dimethyl-2-(4-quinolin-3-ylphenyl)cyclohex-2-ene-1,4-dione.
What is the SMILES notation for 6,6-dimethyl-2-(4-quinolin-3-ylphenyl)cyclohex-2-ene-1,4-dione?
The canonical SMILES for 6,6-dimethyl-2-(4-quinolin-3-ylphenyl)cyclohex-2-ene-1,4-dione is CC1(C)CC(=O)C=C(c2ccc(-c3cnc4ccccc4c3)cc2)C1=O.
What is the InChIKey of 6,6-dimethyl-2-(4-quinolin-3-ylphenyl)cyclohex-2-ene-1,4-dione?
The InChIKey is OFVYGCLVPWTVFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19NO2/c1-23(2)13-19(25)12-20(22(23)26)16-9-7-15(8-10-16)18-11-17-5-3-4-6-21(17)24-14-18/h3-12,14H,13H2,1-2H3.
What are the key properties of 6,6-dimethyl-2-(4-quinolin-3-ylphenyl)cyclohex-2-ene-1,4-dione?
6,6-dimethyl-2-(4-quinolin-3-ylphenyl)cyclohex-2-ene-1,4-dione has a molecular weight of 341.41 g/mol, XLogP of 4.85, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-dimethyl-2-(4-quinolin-3-ylphenyl)cyclohex-2-ene-1,4-dione is sourced from PubChem (CID 46904845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).