(3aS,3bS,9aR,9bR,11aS)-4-hydroxy-6,8,9a,11a-tetramethyl-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1H-indeno[5,4-f]quinolin-7-one

C20H33NO2 — CID 69300780

IUPAC(3aS,3bS,9aR,9bR,11aS)-4-hydroxy-6,8,9a,11a-tetramethyl-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1H-indeno[5,4-f]quinolin-7-one
SMILESCC1C[C@@]2(C)C(CC(O)[C@@H]3[C@H]2CC[C@]2(C)CCC[C@@H]32)N(C)C1=O
InChIInChI=1S/C20H33NO2/c1-12-11-20(3)14-7-9-19(2)8-5-6-13(19)17(14)15(22)10-16(20)21(4)18(12)23/h12-17,22H,5-11H2,1-4H3/t12?,13-,14+,15?,16?,17-,19-,20+/m0/s1
InChIKeyHLWVXHCVOARHRI-PMPAVRNCSA-N
MW319.49 g/mol
LogP3.46
Rot. Bonds

About (3aS,3bS,9aR,9bR,11aS)-4-hydroxy-6,8,9a,11a-tetramethyl-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1H-indeno[5,4-f]quinolin-7-one

(3aS,3bS,9aR,9bR,11aS)-4-hydroxy-6,8,9a,11a-tetramethyl-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1H-indeno[5,4-f]quinolin-7-one (PubChem CID 69300780) has the molecular formula C20H33NO2 and a molecular weight of 319.49 g/mol. Its IUPAC name is (3aS,3bS,9aR,9bR,11aS)-4-hydroxy-6,8,9a,11a-tetramethyl-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1H-indeno[5,4-f]quinolin-7-one.

Molecular Properties

Compound Name(3aS,3bS,9aR,9bR,11aS)-4-hydroxy-6,8,9a,11a-tetramethyl-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1H-indeno[5,4-f]quinolin-7-one
PubChem CID69300780
Molecular FormulaC20H33NO2
Molecular Weight319.49 g/mol
Exact Mass319.25
IUPAC Name(3aS,3bS,9aR,9bR,11aS)-4-hydroxy-6,8,9a,11a-tetramethyl-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1H-indeno[5,4-f]quinolin-7-one
SMILESCC1C[C@@]2(C)C(CC(O)[C@@H]3[C@H]2CC[C@]2(C)CCC[C@@H]32)N(C)C1=O
InChIInChI=1S/C20H33NO2/c1-12-11-20(3)14-7-9-19(2)8-5-6-13(19)17(14)15(22)10-16(20)21(4)18(12)23/h12-17,22H,5-11H2,1-4H3/t12?,13-,14+,15?,16?,17-,19-,20+/m0/s1
InChIKeyHLWVXHCVOARHRI-PMPAVRNCSA-N
XLogP3.46
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.49
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (3aS,3bS,9aR,9bR,11aS)-4-hydroxy-6,8,9a,11a-tetramethyl-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1H-indeno[5,4-f]quinolin-7-one 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 (3aS,3bS,9aR,9bR,11aS)-4-hydroxy-6,8,9a,11a-tetramethyl-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1H-indeno[5,4-f]quinolin-7-one?
The IUPAC name of (3aS,3bS,9aR,9bR,11aS)-4-hydroxy-6,8,9a,11a-tetramethyl-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1H-indeno[5,4-f]quinolin-7-one (CID 69300780) is (3aS,3bS,9aR,9bR,11aS)-4-hydroxy-6,8,9a,11a-tetramethyl-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1H-indeno[5,4-f]quinolin-7-one.
What is the SMILES notation for (3aS,3bS,9aR,9bR,11aS)-4-hydroxy-6,8,9a,11a-tetramethyl-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1H-indeno[5,4-f]quinolin-7-one?
The canonical SMILES for (3aS,3bS,9aR,9bR,11aS)-4-hydroxy-6,8,9a,11a-tetramethyl-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1H-indeno[5,4-f]quinolin-7-one is CC1C[C@@]2(C)C(CC(O)[C@@H]3[C@H]2CC[C@]2(C)CCC[C@@H]32)N(C)C1=O.
What is the InChIKey of (3aS,3bS,9aR,9bR,11aS)-4-hydroxy-6,8,9a,11a-tetramethyl-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1H-indeno[5,4-f]quinolin-7-one?
The InChIKey is HLWVXHCVOARHRI-PMPAVRNCSA-N. The full InChI is InChI=1S/C20H33NO2/c1-12-11-20(3)14-7-9-19(2)8-5-6-13(19)17(14)15(22)10-16(20)21(4)18(12)23/h12-17,22H,5-11H2,1-4H3/t12?,13-,14+,15?,16?,17-,19-,20+/m0/s1.
What are the key properties of (3aS,3bS,9aR,9bR,11aS)-4-hydroxy-6,8,9a,11a-tetramethyl-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1H-indeno[5,4-f]quinolin-7-one?
(3aS,3bS,9aR,9bR,11aS)-4-hydroxy-6,8,9a,11a-tetramethyl-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1H-indeno[5,4-f]quinolin-7-one has a molecular weight of 319.49 g/mol, XLogP of 3.46, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,3bS,9aR,9bR,11aS)-4-hydroxy-6,8,9a,11a-tetramethyl-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1H-indeno[5,4-f]quinolin-7-one is sourced from PubChem (CID 69300780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).