(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

C27H44N2O2 — CID 67742260

IUPAC(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
SMILESCC1CCCC(C)N1C(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4N(C)C(=O)CC[C@]4(C)[C@H]3CC[C@]12C
InChIInChI=1S/C27H44N2O2/c1-17-7-6-8-18(2)29(17)25(31)22-11-10-20-19-9-12-23-27(4,16-14-24(30)28(23)5)21(19)13-15-26(20,22)3/h17-23H,6-16H2,1-5H3/t17?,18?,19-,20-,21-,22+,23+,26-,27+/m0/s1
InChIKeyCBYLMTCLUZHBBV-BOXLSNAMSA-N
MW428.66 g/mol
LogP5.26
Rot. Bonds1

About (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

(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 (PubChem CID 67742260) has the molecular formula C27H44N2O2 and a molecular weight of 428.66 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID67742260
Molecular FormulaC27H44N2O2
Molecular Weight428.66 g/mol
Exact Mass428.34
IUPAC Name(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
SMILESCC1CCCC(C)N1C(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4N(C)C(=O)CC[C@]4(C)[C@H]3CC[C@]12C
InChIInChI=1S/C27H44N2O2/c1-17-7-6-8-18(2)29(17)25(31)22-11-10-20-19-9-12-23-27(4,16-14-24(30)28(23)5)21(19)13-15-26(20,22)3/h17-23H,6-16H2,1-5H3/t17?,18?,19-,20-,21-,22+,23+,26-,27+/m0/s1
InChIKeyCBYLMTCLUZHBBV-BOXLSNAMSA-N
XLogP5.26
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.66
LogP ≤ 55.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (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 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,3bS,9aR,9bR,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 56986263
(1S,3aS,3bS,9aR,9bS,11aS)-6,9a,11a-trimethyl-7-oxo-N-propan-2-yl-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1H-indeno[5,4-f]quinoline-1-carboxamide
CID 118718167
(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
(3aS,3bS,9aR,9bR,11aS)-N,N-diethyl-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-carboxamide
CID 57178579
(3aS,3bS,9aR,9bR,11aS)-N-(2-cyanopropan-2-yl)-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-carboxamide
CID 67703305
(3aS,3bS,9aR,9bR,11aS)-N-(4-fluorophenyl)-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-carboxamide
CID 69356109
(1S,3aS,3bS,5aR,9aR,9bS,11aS)-6,9a,11a-trimethyl-7-oxo-N-(4,4,4-trifluoro-3-methylbutan-2-yl)-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1H-indeno[5,4-f]quinoline-1-carboxamide
CID 67693610
(1S,3R,3aS,3bR,5aR,9aR,9bS,11aR)-1,3,6,9a,11a-pentamethyl-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1H-indeno[5,4-f]quinolin-7-one
CID 67650643
(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,11aS)-1-(2,6-dimethylpiperidine-1-carbonyl)-9a,11a-dimethyl-1,2,3,3a,3b,4,5,5a,6,9b,10,11-dodecahydroindeno[5,4-f]quinolin-7-one
CID 57284606
(1S,3aS,3bS,5aR,9aR,9bS,11aS)-6,9a,11a-trimethyl-7-oxo-N-[3-(trifluoromethyl)but-3-en-2-yl]-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1H-indeno[5,4-f]quinoline-1-carboxamide
CID 67693305
(1S,3aS,3bS,5aR,9aR,9bS,11aS)-6,9a,11a-trimethyl-7-oxo-N-(1,1,1-trifluoro-3-methylbut-3-en-2-yl)-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1H-indeno[5,4-f]quinoline-1-carboxamide
CID 67693341

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is CC1CCCC(C)N1C(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4N(C)C(=O)CC[C@]4(C)[C@H]3CC[C@]12C.
What is the InChIKey of (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?
The InChIKey is CBYLMTCLUZHBBV-BOXLSNAMSA-N. The full InChI is InChI=1S/C27H44N2O2/c1-17-7-6-8-18(2)29(17)25(31)22-11-10-20-19-9-12-23-27(4,16-14-24(30)28(23)5)21(19)13-15-26(20,22)3/h17-23H,6-16H2,1-5H3/t17?,18?,19-,20-,21-,22+,23+,26-,27+/m0/s1.
What are the key properties of (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?
(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 has a molecular weight of 428.66 g/mol, XLogP of 5.26, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 67742260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).