(3aS,3bR,9aR,9bR,11aS)-1-hydroxy-3,9a,11a-trimethyl-1,2,3,3a,3b,4,5,5a,6,9b,10,11-dodecahydroindeno[5,4-f]quinolin-7-one

C19H29NO2 — CID 67651608

IUPAC(3aS,3bR,9aR,9bR,11aS)-1-hydroxy-3,9a,11a-trimethyl-1,2,3,3a,3b,4,5,5a,6,9b,10,11-dodecahydroindeno[5,4-f]quinolin-7-one
SMILESCC1CC(O)[C@@]2(C)CC[C@@H]3[C@@H](CCC4NC(=O)C=C[C@@]43C)[C@H]12
InChIInChI=1S/C19H29NO2/c1-11-10-15(21)19(3)8-6-13-12(17(11)19)4-5-14-18(13,2)9-7-16(22)20-14/h7,9,11-15,17,21H,4-6,8,10H2,1-3H3,(H,20,22)/t11?,12-,13-,14?,15?,17+,18-,19-/m1/s1
InChIKeyXKPKSWGRNKFNOW-YAITUUOOSA-N
MW303.45 g/mol
LogP2.89
Rot. Bonds

About (3aS,3bR,9aR,9bR,11aS)-1-hydroxy-3,9a,11a-trimethyl-1,2,3,3a,3b,4,5,5a,6,9b,10,11-dodecahydroindeno[5,4-f]quinolin-7-one

(3aS,3bR,9aR,9bR,11aS)-1-hydroxy-3,9a,11a-trimethyl-1,2,3,3a,3b,4,5,5a,6,9b,10,11-dodecahydroindeno[5,4-f]quinolin-7-one (PubChem CID 67651608) has the molecular formula C19H29NO2 and a molecular weight of 303.45 g/mol. Its IUPAC name is (3aS,3bR,9aR,9bR,11aS)-1-hydroxy-3,9a,11a-trimethyl-1,2,3,3a,3b,4,5,5a,6,9b,10,11-dodecahydroindeno[5,4-f]quinolin-7-one.

Molecular Properties

Compound Name(3aS,3bR,9aR,9bR,11aS)-1-hydroxy-3,9a,11a-trimethyl-1,2,3,3a,3b,4,5,5a,6,9b,10,11-dodecahydroindeno[5,4-f]quinolin-7-one
PubChem CID67651608
Molecular FormulaC19H29NO2
Molecular Weight303.45 g/mol
Exact Mass303.22
IUPAC Name(3aS,3bR,9aR,9bR,11aS)-1-hydroxy-3,9a,11a-trimethyl-1,2,3,3a,3b,4,5,5a,6,9b,10,11-dodecahydroindeno[5,4-f]quinolin-7-one
SMILESCC1CC(O)[C@@]2(C)CC[C@@H]3[C@@H](CCC4NC(=O)C=C[C@@]43C)[C@H]12
InChIInChI=1S/C19H29NO2/c1-11-10-15(21)19(3)8-6-13-12(17(11)19)4-5-14-18(13,2)9-7-16(22)20-14/h7,9,11-15,17,21H,4-6,8,10H2,1-3H3,(H,20,22)/t11?,12-,13-,14?,15?,17+,18-,19-/m1/s1
InChIKeyXKPKSWGRNKFNOW-YAITUUOOSA-N
XLogP2.89
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.45
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (3aS,3bR,9aR,9bR,11aS)-1-hydroxy-3,9a,11a-trimethyl-1,2,3,3a,3b,4,5,5a,6,9b,10,11-dodecahydroindeno[5,4-f]quinolin-7-one with MolForge

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Related Compounds

(3aS,3bS,5aR,9aR,9bS,11aS)-9a,11a-dimethyl-7-oxo-1,2,3,3a,3b,4,5,5a,6,9b,10,11-dodecahydroindeno[5,4-f]quinoline-1-carboxylic acid
CID 66800691
(3aS,3bS,5aR,9aR,9bS,11aS)-9a,11a-dimethyl-7-oxo-1,2,3,3a,3b,4,5,5a,6,9b,10,11-dodecahydroindeno[5,4-f]quinoline-1-carbaldehyde
CID 22860440
(1S,3aS,5aR,9aR,11aS)-9a,11a-dimethyl-7-oxo-1,2,3,3a,3b,4,5,5a,6,9b,10,11-dodecahydroindeno[5,4-f]quinoline-1-carboxamide
CID 71161580
(3aS,3bS,9aR,9bR,11aS)-1-(2,6-dimethylpiperidine-1-carbonyl)-9a,11a-dimethyl-1,2,3,3a,3b,4,5,5a,6,9b,10,11-dodecahydroindeno[5,4-f]quinolin-7-one
CID 57284606
(3aS,3bS,9aR,9bR,11aS)-1-(cyclobutanecarbonyl)-9a,11a-dimethyl-1,2,3,3a,3b,4,5,5a,6,9b,10,11-dodecahydroindeno[5,4-f]quinolin-7-one
CID 57117475
(1R,9aR,11aR)-1-(2-hydroxyethyl)-9a,11a-dimethyl-1,2,3,3a,3b,4,5,5a,6,9b,10,11-dodecahydroindeno[5,4-f]quinolin-7-one
CID 168911784
(1S,3aS,3bS,5aR,9aR,9bS,11aS)-N,N,9a,11a-tetramethyl-7-oxo-1,2,3,3a,3b,4,5,5a,6,9b,10,11-dodecahydroindeno[5,4-f]quinoline-1-carboxamide
CID 154584899
methyl (1S,3aS,3bS,5aR,9aR,9bS,11aS)-9a,11a-dimethyl-7-oxo-1,2,3,3a,3b,4,5,5a,6,9b,10,11-dodecahydroindeno[5,4-f]quinoline-1-carboxylate
CID 11002070
ethane;methane;methyl 9a,11a-dimethyl-7-oxo-1,2,3,3a,3b,4,5,5a,6,9b,10,11-dodecahydroindeno[5,4-f]quinoline-1-carboxylate
CID 143046977
3-[(1R,3aS,3bS,9aR,9bS,11aR)-9a,11a-dimethyl-7-oxo-1,2,3,3a,3b,4,5,5a,6,9b,10,11-dodecahydroindeno[5,4-f]quinolin-1-yl]propanoic acid
CID 67676487
(1S,3aS,3bS,5aR,9aR,9bS,11aS)-1-(2,6-dibromobenzoyl)-9a,11a-dimethyl-1,2,3,3a,3b,4,5,5a,6,9b,10,11-dodecahydroindeno[5,4-f]quinolin-7-one
CID 70290429
sodium 2-[(1R,3aS,3bS,9aR,9bS,11aS)-9a,11a-dimethyl-7-oxo-1,2,3,3a,3b,4,5,5a,6,9b,10,11-dodecahydroindeno[5,4-f]quinolin-1-yl]propanoate
CID 118718209

Frequently Asked Questions

What is the IUPAC name of (3aS,3bR,9aR,9bR,11aS)-1-hydroxy-3,9a,11a-trimethyl-1,2,3,3a,3b,4,5,5a,6,9b,10,11-dodecahydroindeno[5,4-f]quinolin-7-one?
The IUPAC name of (3aS,3bR,9aR,9bR,11aS)-1-hydroxy-3,9a,11a-trimethyl-1,2,3,3a,3b,4,5,5a,6,9b,10,11-dodecahydroindeno[5,4-f]quinolin-7-one (CID 67651608) is (3aS,3bR,9aR,9bR,11aS)-1-hydroxy-3,9a,11a-trimethyl-1,2,3,3a,3b,4,5,5a,6,9b,10,11-dodecahydroindeno[5,4-f]quinolin-7-one.
What is the SMILES notation for (3aS,3bR,9aR,9bR,11aS)-1-hydroxy-3,9a,11a-trimethyl-1,2,3,3a,3b,4,5,5a,6,9b,10,11-dodecahydroindeno[5,4-f]quinolin-7-one?
The canonical SMILES for (3aS,3bR,9aR,9bR,11aS)-1-hydroxy-3,9a,11a-trimethyl-1,2,3,3a,3b,4,5,5a,6,9b,10,11-dodecahydroindeno[5,4-f]quinolin-7-one is CC1CC(O)[C@@]2(C)CC[C@@H]3[C@@H](CCC4NC(=O)C=C[C@@]43C)[C@H]12.
What is the InChIKey of (3aS,3bR,9aR,9bR,11aS)-1-hydroxy-3,9a,11a-trimethyl-1,2,3,3a,3b,4,5,5a,6,9b,10,11-dodecahydroindeno[5,4-f]quinolin-7-one?
The InChIKey is XKPKSWGRNKFNOW-YAITUUOOSA-N. The full InChI is InChI=1S/C19H29NO2/c1-11-10-15(21)19(3)8-6-13-12(17(11)19)4-5-14-18(13,2)9-7-16(22)20-14/h7,9,11-15,17,21H,4-6,8,10H2,1-3H3,(H,20,22)/t11?,12-,13-,14?,15?,17+,18-,19-/m1/s1.
What are the key properties of (3aS,3bR,9aR,9bR,11aS)-1-hydroxy-3,9a,11a-trimethyl-1,2,3,3a,3b,4,5,5a,6,9b,10,11-dodecahydroindeno[5,4-f]quinolin-7-one?
(3aS,3bR,9aR,9bR,11aS)-1-hydroxy-3,9a,11a-trimethyl-1,2,3,3a,3b,4,5,5a,6,9b,10,11-dodecahydroindeno[5,4-f]quinolin-7-one has a molecular weight of 303.45 g/mol, XLogP of 2.89, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,3bR,9aR,9bR,11aS)-1-hydroxy-3,9a,11a-trimethyl-1,2,3,3a,3b,4,5,5a,6,9b,10,11-dodecahydroindeno[5,4-f]quinolin-7-one is sourced from PubChem (CID 67651608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).