(1E,3aS,3bS,5aR,9aR,9bS,11aS)-6,9a,11a-trimethyl-1-(pyrazin-2-ylmethylidene)-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydroindeno[5,4-f]quinolin-7-one

C24H33N3O — CID 67619158

IUPAC(1E,3aS,3bS,5aR,9aR,9bS,11aS)-6,9a,11a-trimethyl-1-(pyrazin-2-ylmethylidene)-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydroindeno[5,4-f]quinolin-7-one
SMILESCN1C(=O)CC[C@]2(C)[C@H]3CC[C@]4(C)/C(=C/c5cnccn5)CC[C@H]4[C@@H]3CC[C@@H]12
InChIInChI=1S/C24H33N3O/c1-23-10-8-20-18(5-7-21-24(20,2)11-9-22(28)27(21)3)19(23)6-4-16(23)14-17-15-25-12-13-26-17/h12-15,18-21H,4-11H2,1-3H3/b16-14+/t18-,19-,20-,21+,23+,24+/m0/s1
InChIKeyVENHEYXYJIZJDU-AXDHDXJCSA-N
MW379.55 g/mol
LogP4.72
Rot. Bonds1

About (1E,3aS,3bS,5aR,9aR,9bS,11aS)-6,9a,11a-trimethyl-1-(pyrazin-2-ylmethylidene)-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydroindeno[5,4-f]quinolin-7-one

(1E,3aS,3bS,5aR,9aR,9bS,11aS)-6,9a,11a-trimethyl-1-(pyrazin-2-ylmethylidene)-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydroindeno[5,4-f]quinolin-7-one (PubChem CID 67619158) has the molecular formula C24H33N3O and a molecular weight of 379.55 g/mol. Its IUPAC name is (1E,3aS,3bS,5aR,9aR,9bS,11aS)-6,9a,11a-trimethyl-1-(pyrazin-2-ylmethylidene)-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydroindeno[5,4-f]quinolin-7-one.

Molecular Properties

Compound Name(1E,3aS,3bS,5aR,9aR,9bS,11aS)-6,9a,11a-trimethyl-1-(pyrazin-2-ylmethylidene)-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydroindeno[5,4-f]quinolin-7-one
PubChem CID67619158
Molecular FormulaC24H33N3O
Molecular Weight379.55 g/mol
Exact Mass379.26
IUPAC Name(1E,3aS,3bS,5aR,9aR,9bS,11aS)-6,9a,11a-trimethyl-1-(pyrazin-2-ylmethylidene)-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydroindeno[5,4-f]quinolin-7-one
SMILESCN1C(=O)CC[C@]2(C)[C@H]3CC[C@]4(C)/C(=C/c5cnccn5)CC[C@H]4[C@@H]3CC[C@@H]12
InChIInChI=1S/C24H33N3O/c1-23-10-8-20-18(5-7-21-24(20,2)11-9-22(28)27(21)3)19(23)6-4-16(23)14-17-15-25-12-13-26-17/h12-15,18-21H,4-11H2,1-3H3/b16-14+/t18-,19-,20-,21+,23+,24+/m0/s1
InChIKeyVENHEYXYJIZJDU-AXDHDXJCSA-N
XLogP4.72
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.55
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (1E,3aS,3bS,5aR,9aR,9bS,11aS)-6,9a,11a-trimethyl-1-(pyrazin-2-ylmethylidene)-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydroindeno[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

Related Compounds

(1E,3aS,3bS,5aR,9aR,9bS,11aS)-1-[(2-chlorophenyl)methylidene]-6,9a,11a-trimethyl-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydroindeno[5,4-f]quinolin-7-one
CID 67619167
(1E,3aS,3bS,5aR,9aR,9bS,11aS)-6,9a,11a-trimethyl-1-[(4-methylsulfonylphenyl)methylidene]-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydroindeno[5,4-f]quinolin-7-one
CID 67685541
N-[4-[(E)-[(3aS,3bS,5aR,9aR,9bS,11aS)-6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydroindeno[5,4-f]quinolin-1-ylidene]methyl]phenyl]-2,2-dimethylpropanamide
CID 67685879
(1S,3aS,3bR,5aR,9aR,9bS,11aS)-6,9a,11a-trimethyl-1-pyridin-3-yloxy-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1H-indeno[5,4-f]quinolin-7-one
CID 22862514
(9aR,11aR)-1,6,9a,11a-tetramethyl-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1H-indeno[5,4-f]quinolin-7-one
CID 71056442
(1Z,3aS,3bS,9aR,9bR,11aS)-1-(1-bromoethylidene)-6,9a,11a-trimethyl-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydroindeno[5,4-f]quinolin-7-one
CID 69437291
(1R,3aS,3bS,5aR,9aR,9bS,11aR)-6,9a,11a-trimethyl-1-(2-pyridin-3-ylethenyl)-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1H-indeno[5,4-f]quinolin-7-one
CID 67618253
(3aS,3bS,9aR,9bS,11aR)-6,9a,11a-trimethyl-3a,3b,4,5,5a,8,9,9b,10,11-decahydro-3H-indeno[5,4-f]quinolin-7-one
CID 11289197
(3aS,3bS,9aR,9bR,11aS)-1-[(1-fluorocyclopropyl)amino]-6,9a,11a-trimethyl-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1H-indeno[5,4-f]quinolin-7-one
CID 70170236
(3aS,3bR,9aR,9bR,11aS)-1-hydroxy-1,6,9a,11a-tetramethyl-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydroindeno[5,4-f]quinolin-7-one
CID 57174037
(3aS,3bS,9aR,9bR,11aR)-2,6,9a,11a-tetramethyl-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1H-indeno[5,4-f]quinolin-7-one
CID 57089441
(1S,3aS,3bS,5aR,9aR,9bS,11aS)-1-(2,6-dimethylpiperidine-1-carbonyl)-6,9a,11a-trimethyl-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1H-indeno[5,4-f]quinolin-7-one
CID 67742260

Frequently Asked Questions

What is the IUPAC name of (1E,3aS,3bS,5aR,9aR,9bS,11aS)-6,9a,11a-trimethyl-1-(pyrazin-2-ylmethylidene)-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydroindeno[5,4-f]quinolin-7-one?
The IUPAC name of (1E,3aS,3bS,5aR,9aR,9bS,11aS)-6,9a,11a-trimethyl-1-(pyrazin-2-ylmethylidene)-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydroindeno[5,4-f]quinolin-7-one (CID 67619158) is (1E,3aS,3bS,5aR,9aR,9bS,11aS)-6,9a,11a-trimethyl-1-(pyrazin-2-ylmethylidene)-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydroindeno[5,4-f]quinolin-7-one.
What is the SMILES notation for (1E,3aS,3bS,5aR,9aR,9bS,11aS)-6,9a,11a-trimethyl-1-(pyrazin-2-ylmethylidene)-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydroindeno[5,4-f]quinolin-7-one?
The canonical SMILES for (1E,3aS,3bS,5aR,9aR,9bS,11aS)-6,9a,11a-trimethyl-1-(pyrazin-2-ylmethylidene)-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydroindeno[5,4-f]quinolin-7-one is CN1C(=O)CC[C@]2(C)[C@H]3CC[C@]4(C)/C(=C/c5cnccn5)CC[C@H]4[C@@H]3CC[C@@H]12.
What is the InChIKey of (1E,3aS,3bS,5aR,9aR,9bS,11aS)-6,9a,11a-trimethyl-1-(pyrazin-2-ylmethylidene)-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydroindeno[5,4-f]quinolin-7-one?
The InChIKey is VENHEYXYJIZJDU-AXDHDXJCSA-N. The full InChI is InChI=1S/C24H33N3O/c1-23-10-8-20-18(5-7-21-24(20,2)11-9-22(28)27(21)3)19(23)6-4-16(23)14-17-15-25-12-13-26-17/h12-15,18-21H,4-11H2,1-3H3/b16-14+/t18-,19-,20-,21+,23+,24+/m0/s1.
What are the key properties of (1E,3aS,3bS,5aR,9aR,9bS,11aS)-6,9a,11a-trimethyl-1-(pyrazin-2-ylmethylidene)-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydroindeno[5,4-f]quinolin-7-one?
(1E,3aS,3bS,5aR,9aR,9bS,11aS)-6,9a,11a-trimethyl-1-(pyrazin-2-ylmethylidene)-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydroindeno[5,4-f]quinolin-7-one has a molecular weight of 379.55 g/mol, XLogP of 4.72, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,3aS,3bS,5aR,9aR,9bS,11aS)-6,9a,11a-trimethyl-1-(pyrazin-2-ylmethylidene)-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydroindeno[5,4-f]quinolin-7-one is sourced from PubChem (CID 67619158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).