10-hydroxy-3,3,6,6,9-pentamethyl-4,5,7,9-tetrahydro-2H-acridine-1,8-dione

C18H25NO3 — CID 157010784

IUPAC10-hydroxy-3,3,6,6,9-pentamethyl-4,5,7,9-tetrahydro-2H-acridine-1,8-dione
SMILESCC1C2=C(CC(C)(C)CC2=O)N(O)C2=C1C(=O)CC(C)(C)C2
InChIInChI=1S/C18H25NO3/c1-10-15-11(6-17(2,3)8-13(15)20)19(22)12-7-18(4,5)9-14(21)16(10)12/h10,22H,6-9H2,1-5H3
InChIKeyVYTABAZJXVJIHF-UHFFFAOYSA-N
MW303.40 g/mol
LogP3.61
Rot. Bonds

About 10-hydroxy-3,3,6,6,9-pentamethyl-4,5,7,9-tetrahydro-2H-acridine-1,8-dione

10-hydroxy-3,3,6,6,9-pentamethyl-4,5,7,9-tetrahydro-2H-acridine-1,8-dione (PubChem CID 157010784) has the molecular formula C18H25NO3 and a molecular weight of 303.40 g/mol. Its IUPAC name is 10-hydroxy-3,3,6,6,9-pentamethyl-4,5,7,9-tetrahydro-2H-acridine-1,8-dione.

Molecular Properties

Compound Name10-hydroxy-3,3,6,6,9-pentamethyl-4,5,7,9-tetrahydro-2H-acridine-1,8-dione
PubChem CID157010784
Molecular FormulaC18H25NO3
Molecular Weight303.40 g/mol
Exact Mass303.18
IUPAC Name10-hydroxy-3,3,6,6,9-pentamethyl-4,5,7,9-tetrahydro-2H-acridine-1,8-dione
SMILESCC1C2=C(CC(C)(C)CC2=O)N(O)C2=C1C(=O)CC(C)(C)C2
InChIInChI=1S/C18H25NO3/c1-10-15-11(6-17(2,3)8-13(15)20)19(22)12-7-18(4,5)9-14(21)16(10)12/h10,22H,6-9H2,1-5H3
InChIKeyVYTABAZJXVJIHF-UHFFFAOYSA-N
XLogP3.61
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.40
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 10-hydroxy-3,3,6,6,9-pentamethyl-4,5,7,9-tetrahydro-2H-acridine-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 10-hydroxy-3,3,6,6,9-pentamethyl-4,5,7,9-tetrahydro-2H-acridine-1,8-dione?
The IUPAC name of 10-hydroxy-3,3,6,6,9-pentamethyl-4,5,7,9-tetrahydro-2H-acridine-1,8-dione (CID 157010784) is 10-hydroxy-3,3,6,6,9-pentamethyl-4,5,7,9-tetrahydro-2H-acridine-1,8-dione.
What is the SMILES notation for 10-hydroxy-3,3,6,6,9-pentamethyl-4,5,7,9-tetrahydro-2H-acridine-1,8-dione?
The canonical SMILES for 10-hydroxy-3,3,6,6,9-pentamethyl-4,5,7,9-tetrahydro-2H-acridine-1,8-dione is CC1C2=C(CC(C)(C)CC2=O)N(O)C2=C1C(=O)CC(C)(C)C2.
What is the InChIKey of 10-hydroxy-3,3,6,6,9-pentamethyl-4,5,7,9-tetrahydro-2H-acridine-1,8-dione?
The InChIKey is VYTABAZJXVJIHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO3/c1-10-15-11(6-17(2,3)8-13(15)20)19(22)12-7-18(4,5)9-14(21)16(10)12/h10,22H,6-9H2,1-5H3.
What are the key properties of 10-hydroxy-3,3,6,6,9-pentamethyl-4,5,7,9-tetrahydro-2H-acridine-1,8-dione?
10-hydroxy-3,3,6,6,9-pentamethyl-4,5,7,9-tetrahydro-2H-acridine-1,8-dione has a molecular weight of 303.40 g/mol, XLogP of 3.61, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-hydroxy-3,3,6,6,9-pentamethyl-4,5,7,9-tetrahydro-2H-acridine-1,8-dione is sourced from PubChem (CID 157010784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).