3,3,6,6-tetramethyl-9-pyridin-2-yl-4,5,7,9-tetrahydro-2H-xanthene-1,8-dione

C22H25NO3 — CID 2137774

IUPAC3,3,6,6-tetramethyl-9-pyridin-2-yl-4,5,7,9-tetrahydro-2H-xanthene-1,8-dione
SMILESCC1(C)CC(=O)C2=C(C1)OC1=C(C(=O)CC(C)(C)C1)C2c1ccccn1
InChIInChI=1S/C22H25NO3/c1-21(2)9-14(24)19-16(11-21)26-17-12-22(3,4)10-15(25)20(17)18(19)13-7-5-6-8-23-13/h5-8,18H,9-12H2,1-4H3
InChIKeyBJNFWOYGBKNAMW-UHFFFAOYSA-N
MW351.45 g/mol
LogP4.48
Rot. Bonds1

About 3,3,6,6-tetramethyl-9-pyridin-2-yl-4,5,7,9-tetrahydro-2H-xanthene-1,8-dione

3,3,6,6-tetramethyl-9-pyridin-2-yl-4,5,7,9-tetrahydro-2H-xanthene-1,8-dione (PubChem CID 2137774) has the molecular formula C22H25NO3 and a molecular weight of 351.45 g/mol. Its IUPAC name is 3,3,6,6-tetramethyl-9-pyridin-2-yl-4,5,7,9-tetrahydro-2H-xanthene-1,8-dione.

Molecular Properties

Compound Name3,3,6,6-tetramethyl-9-pyridin-2-yl-4,5,7,9-tetrahydro-2H-xanthene-1,8-dione
PubChem CID2137774
Molecular FormulaC22H25NO3
Molecular Weight351.45 g/mol
Exact Mass351.18
IUPAC Name3,3,6,6-tetramethyl-9-pyridin-2-yl-4,5,7,9-tetrahydro-2H-xanthene-1,8-dione
SMILESCC1(C)CC(=O)C2=C(C1)OC1=C(C(=O)CC(C)(C)C1)C2c1ccccn1
InChIInChI=1S/C22H25NO3/c1-21(2)9-14(24)19-16(11-21)26-17-12-22(3,4)10-15(25)20(17)18(19)13-7-5-6-8-23-13/h5-8,18H,9-12H2,1-4H3
InChIKeyBJNFWOYGBKNAMW-UHFFFAOYSA-N
XLogP4.48
TPSA56.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3,3,6,6-tetramethyl-9-pyridin-2-yl-4,5,7,9-tetrahydro-2H-xanthene-1,8-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 3,3,6,6-tetramethyl-9-pyridin-2-yl-4,5,7,9-tetrahydro-2H-xanthene-1,8-dione?
The IUPAC name of 3,3,6,6-tetramethyl-9-pyridin-2-yl-4,5,7,9-tetrahydro-2H-xanthene-1,8-dione (CID 2137774) is 3,3,6,6-tetramethyl-9-pyridin-2-yl-4,5,7,9-tetrahydro-2H-xanthene-1,8-dione.
What is the SMILES notation for 3,3,6,6-tetramethyl-9-pyridin-2-yl-4,5,7,9-tetrahydro-2H-xanthene-1,8-dione?
The canonical SMILES for 3,3,6,6-tetramethyl-9-pyridin-2-yl-4,5,7,9-tetrahydro-2H-xanthene-1,8-dione is CC1(C)CC(=O)C2=C(C1)OC1=C(C(=O)CC(C)(C)C1)C2c1ccccn1.
What is the InChIKey of 3,3,6,6-tetramethyl-9-pyridin-2-yl-4,5,7,9-tetrahydro-2H-xanthene-1,8-dione?
The InChIKey is BJNFWOYGBKNAMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25NO3/c1-21(2)9-14(24)19-16(11-21)26-17-12-22(3,4)10-15(25)20(17)18(19)13-7-5-6-8-23-13/h5-8,18H,9-12H2,1-4H3.
What are the key properties of 3,3,6,6-tetramethyl-9-pyridin-2-yl-4,5,7,9-tetrahydro-2H-xanthene-1,8-dione?
3,3,6,6-tetramethyl-9-pyridin-2-yl-4,5,7,9-tetrahydro-2H-xanthene-1,8-dione has a molecular weight of 351.45 g/mol, XLogP of 4.48, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,6,6-tetramethyl-9-pyridin-2-yl-4,5,7,9-tetrahydro-2H-xanthene-1,8-dione is sourced from PubChem (CID 2137774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).