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

C24H30FNO — CID 70255732

IUPAC(3aS,3bS,9aR,9bR,11aS)-1-(2-fluorophenyl)-9a,11a-dimethyl-1,2,3,3a,3b,4,5,5a,6,9b,10,11-dodecahydroindeno[5,4-f]quinolin-7-one
SMILESC[C@]12C=CC(=O)NC1CC[C@@H]1[C@H]2CC[C@]2(C)C(c3ccccc3F)CC[C@@H]12
InChIInChI=1S/C24H30FNO/c1-23-13-11-19-15(7-10-21-24(19,2)14-12-22(27)26-21)17(23)8-9-18(23)16-5-3-4-6-20(16)25/h3-6,12,14-15,17-19,21H,7-11,13H2,1-2H3,(H,26,27)/t15-,17-,18?,19+,21?,23-,24+/m0/s1
InChIKeySZBKJAZPKIWSAS-JOSXYCNHSA-N
MW367.51 g/mol
LogP5.21
Rot. Bonds1

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

(3aS,3bS,9aR,9bR,11aS)-1-(2-fluorophenyl)-9a,11a-dimethyl-1,2,3,3a,3b,4,5,5a,6,9b,10,11-dodecahydroindeno[5,4-f]quinolin-7-one (PubChem CID 70255732) has the molecular formula C24H30FNO and a molecular weight of 367.51 g/mol. Its IUPAC name is (3aS,3bS,9aR,9bR,11aS)-1-(2-fluorophenyl)-9a,11a-dimethyl-1,2,3,3a,3b,4,5,5a,6,9b,10,11-dodecahydroindeno[5,4-f]quinolin-7-one.

Molecular Properties

Compound Name(3aS,3bS,9aR,9bR,11aS)-1-(2-fluorophenyl)-9a,11a-dimethyl-1,2,3,3a,3b,4,5,5a,6,9b,10,11-dodecahydroindeno[5,4-f]quinolin-7-one
PubChem CID70255732
Molecular FormulaC24H30FNO
Molecular Weight367.51 g/mol
Exact Mass367.23
IUPAC Name(3aS,3bS,9aR,9bR,11aS)-1-(2-fluorophenyl)-9a,11a-dimethyl-1,2,3,3a,3b,4,5,5a,6,9b,10,11-dodecahydroindeno[5,4-f]quinolin-7-one
SMILESC[C@]12C=CC(=O)NC1CC[C@@H]1[C@H]2CC[C@]2(C)C(c3ccccc3F)CC[C@@H]12
InChIInChI=1S/C24H30FNO/c1-23-13-11-19-15(7-10-21-24(19,2)14-12-22(27)26-21)17(23)8-9-18(23)16-5-3-4-6-20(16)25/h3-6,12,14-15,17-19,21H,7-11,13H2,1-2H3,(H,26,27)/t15-,17-,18?,19+,21?,23-,24+/m0/s1
InChIKeySZBKJAZPKIWSAS-JOSXYCNHSA-N
XLogP5.21
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.51
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (3aS,3bS,9aR,9bR,11aS)-1-(2-fluorophenyl)-9a,11a-dimethyl-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,9aR,9bR,11aS)-1-(2-fluorophenyl)-9a,11a-dimethyl-1,2,3,3a,3b,4,5,5a,6,8,9,9b,10,11-tetradecahydroindeno[5,4-f]quinolin-7-one
CID 70256223
(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
(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
(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
(1S,3aS,3bS,5aR,9aR,9bS,11aS)-1-[2-(1-hydroxyethyl)benzoyl]-9a,11a-dimethyl-1,2,3,3a,3b,4,5,5a,6,9b,10,11-dodecahydroindeno[5,4-f]quinolin-7-one
CID 70292075
(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
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
(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
1-[(3aS,3bS,9aR,9bR,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]-3-(4-fluorophenyl)urea
CID 67874752

Frequently Asked Questions

What is the IUPAC name of (3aS,3bS,9aR,9bR,11aS)-1-(2-fluorophenyl)-9a,11a-dimethyl-1,2,3,3a,3b,4,5,5a,6,9b,10,11-dodecahydroindeno[5,4-f]quinolin-7-one?
The IUPAC name of (3aS,3bS,9aR,9bR,11aS)-1-(2-fluorophenyl)-9a,11a-dimethyl-1,2,3,3a,3b,4,5,5a,6,9b,10,11-dodecahydroindeno[5,4-f]quinolin-7-one (CID 70255732) is (3aS,3bS,9aR,9bR,11aS)-1-(2-fluorophenyl)-9a,11a-dimethyl-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,3bS,9aR,9bR,11aS)-1-(2-fluorophenyl)-9a,11a-dimethyl-1,2,3,3a,3b,4,5,5a,6,9b,10,11-dodecahydroindeno[5,4-f]quinolin-7-one?
The canonical SMILES for (3aS,3bS,9aR,9bR,11aS)-1-(2-fluorophenyl)-9a,11a-dimethyl-1,2,3,3a,3b,4,5,5a,6,9b,10,11-dodecahydroindeno[5,4-f]quinolin-7-one is C[C@]12C=CC(=O)NC1CC[C@@H]1[C@H]2CC[C@]2(C)C(c3ccccc3F)CC[C@@H]12.
What is the InChIKey of (3aS,3bS,9aR,9bR,11aS)-1-(2-fluorophenyl)-9a,11a-dimethyl-1,2,3,3a,3b,4,5,5a,6,9b,10,11-dodecahydroindeno[5,4-f]quinolin-7-one?
The InChIKey is SZBKJAZPKIWSAS-JOSXYCNHSA-N. The full InChI is InChI=1S/C24H30FNO/c1-23-13-11-19-15(7-10-21-24(19,2)14-12-22(27)26-21)17(23)8-9-18(23)16-5-3-4-6-20(16)25/h3-6,12,14-15,17-19,21H,7-11,13H2,1-2H3,(H,26,27)/t15-,17-,18?,19+,21?,23-,24+/m0/s1.
What are the key properties of (3aS,3bS,9aR,9bR,11aS)-1-(2-fluorophenyl)-9a,11a-dimethyl-1,2,3,3a,3b,4,5,5a,6,9b,10,11-dodecahydroindeno[5,4-f]quinolin-7-one?
(3aS,3bS,9aR,9bR,11aS)-1-(2-fluorophenyl)-9a,11a-dimethyl-1,2,3,3a,3b,4,5,5a,6,9b,10,11-dodecahydroindeno[5,4-f]quinolin-7-one has a molecular weight of 367.51 g/mol, XLogP of 5.21, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,3bS,9aR,9bR,11aS)-1-(2-fluorophenyl)-9a,11a-dimethyl-1,2,3,3a,3b,4,5,5a,6,9b,10,11-dodecahydroindeno[5,4-f]quinolin-7-one is sourced from PubChem (CID 70255732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).