(1S,3aS,3bR,5aR,8R,9aR,9bS,11aS)-1-cyclopropyloxy-6,9a,11a-trimethyl-8-methylsulfanyl-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1H-indeno[5,4-f]quinolin-7-one

C23H37NO2S — CID 70145574

IUPAC(1S,3aS,3bR,5aR,8R,9aR,9bS,11aS)-1-cyclopropyloxy-6,9a,11a-trimethyl-8-methylsulfanyl-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1H-indeno[5,4-f]quinolin-7-one
SMILESCS[C@@H]1C[C@]2(C)[C@H]3CC[C@]4(C)[C@@H](OC5CC5)CC[C@H]4[C@@H]3CC[C@H]2N(C)C1=O
InChIInChI=1S/C23H37NO2S/c1-22-12-11-17-15(16(22)8-10-20(22)26-14-5-6-14)7-9-19-23(17,2)13-18(27-4)21(25)24(19)3/h14-20H,5-13H2,1-4H3/t15-,16-,17-,18+,19+,20-,22-,23+/m0/s1
InChIKeyFEIMAEVXIZAMON-KPSWSRIPSA-N
MW391.62 g/mol
LogP4.74
Rot. Bonds3

About (1S,3aS,3bR,5aR,8R,9aR,9bS,11aS)-1-cyclopropyloxy-6,9a,11a-trimethyl-8-methylsulfanyl-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,8R,9aR,9bS,11aS)-1-cyclopropyloxy-6,9a,11a-trimethyl-8-methylsulfanyl-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1H-indeno[5,4-f]quinolin-7-one (PubChem CID 70145574) has the molecular formula C23H37NO2S and a molecular weight of 391.62 g/mol. Its IUPAC name is (1S,3aS,3bR,5aR,8R,9aR,9bS,11aS)-1-cyclopropyloxy-6,9a,11a-trimethyl-8-methylsulfanyl-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,8R,9aR,9bS,11aS)-1-cyclopropyloxy-6,9a,11a-trimethyl-8-methylsulfanyl-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1H-indeno[5,4-f]quinolin-7-one
PubChem CID70145574
Molecular FormulaC23H37NO2S
Molecular Weight391.62 g/mol
Exact Mass391.25
IUPAC Name(1S,3aS,3bR,5aR,8R,9aR,9bS,11aS)-1-cyclopropyloxy-6,9a,11a-trimethyl-8-methylsulfanyl-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1H-indeno[5,4-f]quinolin-7-one
SMILESCS[C@@H]1C[C@]2(C)[C@H]3CC[C@]4(C)[C@@H](OC5CC5)CC[C@H]4[C@@H]3CC[C@H]2N(C)C1=O
InChIInChI=1S/C23H37NO2S/c1-22-12-11-17-15(16(22)8-10-20(22)26-14-5-6-14)7-9-19-23(17,2)13-18(27-4)21(25)24(19)3/h14-20H,5-13H2,1-4H3/t15-,16-,17-,18+,19+,20-,22-,23+/m0/s1
InChIKeyFEIMAEVXIZAMON-KPSWSRIPSA-N
XLogP4.74
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.62
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (1S,3aS,3bR,5aR,8R,9aR,9bS,11aS)-1-cyclopropyloxy-6,9a,11a-trimethyl-8-methylsulfanyl-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

methyl (1R,3aR,3bR,5aS,9aS,9bR,11aR)-8-fluoro-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 164662553
(8R,9S,10R,13S,14S)-17-cyclopropyloxy-4-imino-10,13-dimethyl-2,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-one
CID 57314954
4-amino-17-cyclopropyloxy-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
CID 19606903
(3aS,3bS,9aR,9bR,11aS)-1-(cyclopropylamino)-8-iodo-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 70146739
(3aS,3bS,9aR,9bR,11aS)-8-bromo-1-(cyclopropylamino)-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 70147164
(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
(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
(3aS,3bR,9aR,9bR,11aS)-6,9a,11a-trimethyl-1,7-dioxo-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydroindeno[5,4-f]quinoline-8-carbonitrile
CID 57001518
(2R,10S,13S,17S)-2,10,13-trimethyl-17-[[(2R,10S,13S,17S)-2,10,13-trimethyl-3-oxo-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]oxy]-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one
CID 67848477
(1S,3aS,3bS,5aR,9aR,9bS,11aS)-6,9a,11a-trimethyl-7-oxo-8-(3,4,5-trimethoxyphenyl)-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1H-indeno[5,4-f]quinoline-1-carboxylic acid
CID 70255760
(8R,9S,10R,13S,14S,17S)-17-cyclopropyloxy-10,13-dimethyl-4-nitro-2,3,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene
CID 67741026
(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

Frequently Asked Questions

What is the IUPAC name of (1S,3aS,3bR,5aR,8R,9aR,9bS,11aS)-1-cyclopropyloxy-6,9a,11a-trimethyl-8-methylsulfanyl-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,8R,9aR,9bS,11aS)-1-cyclopropyloxy-6,9a,11a-trimethyl-8-methylsulfanyl-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1H-indeno[5,4-f]quinolin-7-one (CID 70145574) is (1S,3aS,3bR,5aR,8R,9aR,9bS,11aS)-1-cyclopropyloxy-6,9a,11a-trimethyl-8-methylsulfanyl-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,8R,9aR,9bS,11aS)-1-cyclopropyloxy-6,9a,11a-trimethyl-8-methylsulfanyl-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,8R,9aR,9bS,11aS)-1-cyclopropyloxy-6,9a,11a-trimethyl-8-methylsulfanyl-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1H-indeno[5,4-f]quinolin-7-one is CS[C@@H]1C[C@]2(C)[C@H]3CC[C@]4(C)[C@@H](OC5CC5)CC[C@H]4[C@@H]3CC[C@H]2N(C)C1=O.
What is the InChIKey of (1S,3aS,3bR,5aR,8R,9aR,9bS,11aS)-1-cyclopropyloxy-6,9a,11a-trimethyl-8-methylsulfanyl-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1H-indeno[5,4-f]quinolin-7-one?
The InChIKey is FEIMAEVXIZAMON-KPSWSRIPSA-N. The full InChI is InChI=1S/C23H37NO2S/c1-22-12-11-17-15(16(22)8-10-20(22)26-14-5-6-14)7-9-19-23(17,2)13-18(27-4)21(25)24(19)3/h14-20H,5-13H2,1-4H3/t15-,16-,17-,18+,19+,20-,22-,23+/m0/s1.
What are the key properties of (1S,3aS,3bR,5aR,8R,9aR,9bS,11aS)-1-cyclopropyloxy-6,9a,11a-trimethyl-8-methylsulfanyl-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,8R,9aR,9bS,11aS)-1-cyclopropyloxy-6,9a,11a-trimethyl-8-methylsulfanyl-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 391.62 g/mol, XLogP of 4.74, 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,8R,9aR,9bS,11aS)-1-cyclopropyloxy-6,9a,11a-trimethyl-8-methylsulfanyl-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 70145574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).