(1S,3aS,3bR,5aR,9aR,9bS,11aS)-1-(4-methoxyphenoxy)-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

C26H37NO3 — CID 70269531

IUPAC(1S,3aS,3bR,5aR,9aR,9bS,11aS)-1-(4-methoxyphenoxy)-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
SMILESCOc1ccc(O[C@H]2CC[C@H]3[C@@H]4CC[C@H]5N(C)C(=O)CC[C@]5(C)[C@H]4CC[C@]23C)cc1
InChIInChI=1S/C26H37NO3/c1-25-16-14-24(28)27(3)22(25)11-9-19-20-10-12-23(26(20,2)15-13-21(19)25)30-18-7-5-17(29-4)6-8-18/h5-8,19-23H,9-16H2,1-4H3/t19-,20-,21-,22+,23-,25+,26-/m0/s1
InChIKeyCWTDJKAIVOEUHH-LMZXXRHXSA-N
MW411.59 g/mol
LogP5.31
Rot. Bonds3

About (1S,3aS,3bR,5aR,9aR,9bS,11aS)-1-(4-methoxyphenoxy)-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

(1S,3aS,3bR,5aR,9aR,9bS,11aS)-1-(4-methoxyphenoxy)-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 (PubChem CID 70269531) has the molecular formula C26H37NO3 and a molecular weight of 411.59 g/mol. Its IUPAC name is (1S,3aS,3bR,5aR,9aR,9bS,11aS)-1-(4-methoxyphenoxy)-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.

Molecular Properties

Compound Name(1S,3aS,3bR,5aR,9aR,9bS,11aS)-1-(4-methoxyphenoxy)-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
PubChem CID70269531
Molecular FormulaC26H37NO3
Molecular Weight411.59 g/mol
Exact Mass411.28
IUPAC Name(1S,3aS,3bR,5aR,9aR,9bS,11aS)-1-(4-methoxyphenoxy)-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
SMILESCOc1ccc(O[C@H]2CC[C@H]3[C@@H]4CC[C@H]5N(C)C(=O)CC[C@]5(C)[C@H]4CC[C@]23C)cc1
InChIInChI=1S/C26H37NO3/c1-25-16-14-24(28)27(3)22(25)11-9-19-20-10-12-23(26(20,2)15-13-21(19)25)30-18-7-5-17(29-4)6-8-18/h5-8,19-23H,9-16H2,1-4H3/t19-,20-,21-,22+,23-,25+,26-/m0/s1
InChIKeyCWTDJKAIVOEUHH-LMZXXRHXSA-N
XLogP5.31
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.59
LogP ≤ 55.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (1S,3aS,3bR,5aR,9aR,9bS,11aS)-1-(4-methoxyphenoxy)-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 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

(3aS,3bR,9aR,9bR,11aS)-1-(4-chlorophenoxy)-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 57218643
N-[4-[[(3aS,3bR,9aR,9bR,11aS)-6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1H-indeno[5,4-f]quinolin-1-yl]oxy]phenyl]formamide
CID 56990621
(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
(3aS,3bR,9aR,9bR,11aS)-1-(4-chlorophenoxy)-4,6,9a,11a-tetramethyl-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1H-indeno[5,4-f]quinolin-7-one
CID 57248405
(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
(3,4,5-trimethoxyphenyl) (1S,3aS,3bS,5aR,9aR,9bS,11aS)-6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1H-indeno[5,4-f]quinoline-1-carboxylate
CID 22849857
2-[(3aS,3bS,5aR,9aR,9bS,11aS)-6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1H-indeno[5,4-f]quinolin-1-yl]-2-methoxyacetic acid
CID 22862564
benzhydryl 2-[[(1S,3aS,3bR,5aR,9aR,9bS,11aS)-6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1H-indeno[5,4-f]quinolin-1-yl]oxy]acetate
CID 86749640
(3aS,3bS,9aR,9bR,11aR)-6,9a,11a-trimethyl-1-(thiophen-2-ylmethyl)-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1H-indeno[5,4-f]quinolin-7-one
CID 91094405
(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
(1S,3aS,3bR,5aR,9aR,9bS,11aS)-1-(2-cyclopropyloxyphenyl)sulfinyl-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 67670113

Frequently Asked Questions

What is the IUPAC name of (1S,3aS,3bR,5aR,9aR,9bS,11aS)-1-(4-methoxyphenoxy)-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?
The IUPAC name of (1S,3aS,3bR,5aR,9aR,9bS,11aS)-1-(4-methoxyphenoxy)-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 70269531) is (1S,3aS,3bR,5aR,9aR,9bS,11aS)-1-(4-methoxyphenoxy)-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.
What is the SMILES notation for (1S,3aS,3bR,5aR,9aR,9bS,11aS)-1-(4-methoxyphenoxy)-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?
The canonical SMILES for (1S,3aS,3bR,5aR,9aR,9bS,11aS)-1-(4-methoxyphenoxy)-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 is COc1ccc(O[C@H]2CC[C@H]3[C@@H]4CC[C@H]5N(C)C(=O)CC[C@]5(C)[C@H]4CC[C@]23C)cc1.
What is the InChIKey of (1S,3aS,3bR,5aR,9aR,9bS,11aS)-1-(4-methoxyphenoxy)-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?
The InChIKey is CWTDJKAIVOEUHH-LMZXXRHXSA-N. The full InChI is InChI=1S/C26H37NO3/c1-25-16-14-24(28)27(3)22(25)11-9-19-20-10-12-23(26(20,2)15-13-21(19)25)30-18-7-5-17(29-4)6-8-18/h5-8,19-23H,9-16H2,1-4H3/t19-,20-,21-,22+,23-,25+,26-/m0/s1.
What are the key properties of (1S,3aS,3bR,5aR,9aR,9bS,11aS)-1-(4-methoxyphenoxy)-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?
(1S,3aS,3bR,5aR,9aR,9bS,11aS)-1-(4-methoxyphenoxy)-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 has a molecular weight of 411.59 g/mol, XLogP of 5.31, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,3aS,3bR,5aR,9aR,9bS,11aS)-1-(4-methoxyphenoxy)-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 is sourced from PubChem (CID 70269531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).