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

C26H32FNO — CID 69302281

IUPAC(3aS,3bS,5aR,9aR,9bS,11aS)-5-[(3-fluorophenyl)methylidene]-6,9a,11a-trimethyl-1,2,3,3a,3b,4,5a,9b,10,11-decahydroindeno[5,4-f]quinolin-7-one
SMILESCN1C(=O)C=C[C@]2(C)[C@H]3CC[C@]4(C)CCC[C@H]4[C@@H]3CC(=Cc3cccc(F)c3)[C@@H]12
InChIInChI=1S/C26H32FNO/c1-25-11-5-8-21(25)20-16-18(14-17-6-4-7-19(27)15-17)24-26(2,22(20)9-12-25)13-10-23(29)28(24)3/h4,6-7,10,13-15,20-22,24H,5,8-9,11-12,16H2,1-3H3/t20-,21-,22-,24+,25-,26+/m0/s1
InChIKeyNWXZOVKNKSPTDD-SQRMQMBQSA-N
MW393.55 g/mol
LogP5.85
Rot. Bonds1

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

(3aS,3bS,5aR,9aR,9bS,11aS)-5-[(3-fluorophenyl)methylidene]-6,9a,11a-trimethyl-1,2,3,3a,3b,4,5a,9b,10,11-decahydroindeno[5,4-f]quinolin-7-one (PubChem CID 69302281) has the molecular formula C26H32FNO and a molecular weight of 393.55 g/mol. Its IUPAC name is (3aS,3bS,5aR,9aR,9bS,11aS)-5-[(3-fluorophenyl)methylidene]-6,9a,11a-trimethyl-1,2,3,3a,3b,4,5a,9b,10,11-decahydroindeno[5,4-f]quinolin-7-one.

Molecular Properties

Compound Name(3aS,3bS,5aR,9aR,9bS,11aS)-5-[(3-fluorophenyl)methylidene]-6,9a,11a-trimethyl-1,2,3,3a,3b,4,5a,9b,10,11-decahydroindeno[5,4-f]quinolin-7-one
PubChem CID69302281
Molecular FormulaC26H32FNO
Molecular Weight393.55 g/mol
Exact Mass393.25
IUPAC Name(3aS,3bS,5aR,9aR,9bS,11aS)-5-[(3-fluorophenyl)methylidene]-6,9a,11a-trimethyl-1,2,3,3a,3b,4,5a,9b,10,11-decahydroindeno[5,4-f]quinolin-7-one
SMILESCN1C(=O)C=C[C@]2(C)[C@H]3CC[C@]4(C)CCC[C@H]4[C@@H]3CC(=Cc3cccc(F)c3)[C@@H]12
InChIInChI=1S/C26H32FNO/c1-25-11-5-8-21(25)20-16-18(14-17-6-4-7-19(27)15-17)24-26(2,22(20)9-12-25)13-10-23(29)28(24)3/h4,6-7,10,13-15,20-22,24H,5,8-9,11-12,16H2,1-3H3/t20-,21-,22-,24+,25-,26+/m0/s1
InChIKeyNWXZOVKNKSPTDD-SQRMQMBQSA-N
XLogP5.85
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.55
LogP ≤ 55.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (3aS,3bS,5aR,9aR,9bS,11aS)-5-[(3-fluorophenyl)methylidene]-6,9a,11a-trimethyl-1,2,3,3a,3b,4,5a,9b,10,11-decahydroindeno[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,5aR,9aR,9bS,11aS)-5-[(3-fluorophenyl)methylidene]-6,9a,11a-trimethyl-1,2,3,3a,3b,4,5a,9b,10,11-decahydroindeno[5,4-f]quinolin-7-one?
The IUPAC name of (3aS,3bS,5aR,9aR,9bS,11aS)-5-[(3-fluorophenyl)methylidene]-6,9a,11a-trimethyl-1,2,3,3a,3b,4,5a,9b,10,11-decahydroindeno[5,4-f]quinolin-7-one (CID 69302281) is (3aS,3bS,5aR,9aR,9bS,11aS)-5-[(3-fluorophenyl)methylidene]-6,9a,11a-trimethyl-1,2,3,3a,3b,4,5a,9b,10,11-decahydroindeno[5,4-f]quinolin-7-one.
What is the SMILES notation for (3aS,3bS,5aR,9aR,9bS,11aS)-5-[(3-fluorophenyl)methylidene]-6,9a,11a-trimethyl-1,2,3,3a,3b,4,5a,9b,10,11-decahydroindeno[5,4-f]quinolin-7-one?
The canonical SMILES for (3aS,3bS,5aR,9aR,9bS,11aS)-5-[(3-fluorophenyl)methylidene]-6,9a,11a-trimethyl-1,2,3,3a,3b,4,5a,9b,10,11-decahydroindeno[5,4-f]quinolin-7-one is CN1C(=O)C=C[C@]2(C)[C@H]3CC[C@]4(C)CCC[C@H]4[C@@H]3CC(=Cc3cccc(F)c3)[C@@H]12.
What is the InChIKey of (3aS,3bS,5aR,9aR,9bS,11aS)-5-[(3-fluorophenyl)methylidene]-6,9a,11a-trimethyl-1,2,3,3a,3b,4,5a,9b,10,11-decahydroindeno[5,4-f]quinolin-7-one?
The InChIKey is NWXZOVKNKSPTDD-SQRMQMBQSA-N. The full InChI is InChI=1S/C26H32FNO/c1-25-11-5-8-21(25)20-16-18(14-17-6-4-7-19(27)15-17)24-26(2,22(20)9-12-25)13-10-23(29)28(24)3/h4,6-7,10,13-15,20-22,24H,5,8-9,11-12,16H2,1-3H3/t20-,21-,22-,24+,25-,26+/m0/s1.
What are the key properties of (3aS,3bS,5aR,9aR,9bS,11aS)-5-[(3-fluorophenyl)methylidene]-6,9a,11a-trimethyl-1,2,3,3a,3b,4,5a,9b,10,11-decahydroindeno[5,4-f]quinolin-7-one?
(3aS,3bS,5aR,9aR,9bS,11aS)-5-[(3-fluorophenyl)methylidene]-6,9a,11a-trimethyl-1,2,3,3a,3b,4,5a,9b,10,11-decahydroindeno[5,4-f]quinolin-7-one has a molecular weight of 393.55 g/mol, XLogP of 5.85, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,3bS,5aR,9aR,9bS,11aS)-5-[(3-fluorophenyl)methylidene]-6,9a,11a-trimethyl-1,2,3,3a,3b,4,5a,9b,10,11-decahydroindeno[5,4-f]quinolin-7-one is sourced from PubChem (CID 69302281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).