2-[(3aS,3bS,9aR,9bR,11aS)-9a,11a-dimethyl-7-oxo-2,3,3a,3b,4,5,5a,9b,10,11-decahydro-1H-indeno[5,4-f]quinolin-6-yl]-2-[4-(trifluoromethyl)phenyl]propanamide

C28H35F3N2O2 — CID 91383618

IUPAC2-[(3aS,3bS,9aR,9bR,11aS)-9a,11a-dimethyl-7-oxo-2,3,3a,3b,4,5,5a,9b,10,11-decahydro-1H-indeno[5,4-f]quinolin-6-yl]-2-[4-(trifluoromethyl)phenyl]propanamide
SMILESCC(C(N)=O)(c1ccc(C(F)(F)F)cc1)N1C(=O)C=C[C@@]2(C)C1CC[C@@H]1[C@H]2CC[C@]2(C)CCC[C@@H]12
InChIInChI=1S/C28H35F3N2O2/c1-25-14-4-5-20(25)19-10-11-22-26(2,21(19)12-15-25)16-13-23(34)33(22)27(3,24(32)35)17-6-8-18(9-7-17)28(29,30)31/h6-9,13,16,19-22H,4-5,10-12,14-15H2,1-3H3,(H2,32,35)/t19-,20-,21+,22?,25-,26+,27?/m0/s1
InChIKeyWGUJHIFRUHBVIU-HYUXDYLXSA-N
MW488.59 g/mol
LogP5.81
Rot. Bonds3

About 2-[(3aS,3bS,9aR,9bR,11aS)-9a,11a-dimethyl-7-oxo-2,3,3a,3b,4,5,5a,9b,10,11-decahydro-1H-indeno[5,4-f]quinolin-6-yl]-2-[4-(trifluoromethyl)phenyl]propanamide

2-[(3aS,3bS,9aR,9bR,11aS)-9a,11a-dimethyl-7-oxo-2,3,3a,3b,4,5,5a,9b,10,11-decahydro-1H-indeno[5,4-f]quinolin-6-yl]-2-[4-(trifluoromethyl)phenyl]propanamide (PubChem CID 91383618) has the molecular formula C28H35F3N2O2 and a molecular weight of 488.59 g/mol. Its IUPAC name is 2-[(3aS,3bS,9aR,9bR,11aS)-9a,11a-dimethyl-7-oxo-2,3,3a,3b,4,5,5a,9b,10,11-decahydro-1H-indeno[5,4-f]quinolin-6-yl]-2-[4-(trifluoromethyl)phenyl]propanamide.

Molecular Properties

Compound Name2-[(3aS,3bS,9aR,9bR,11aS)-9a,11a-dimethyl-7-oxo-2,3,3a,3b,4,5,5a,9b,10,11-decahydro-1H-indeno[5,4-f]quinolin-6-yl]-2-[4-(trifluoromethyl)phenyl]propanamide
PubChem CID91383618
Molecular FormulaC28H35F3N2O2
Molecular Weight488.59 g/mol
Exact Mass488.27
IUPAC Name2-[(3aS,3bS,9aR,9bR,11aS)-9a,11a-dimethyl-7-oxo-2,3,3a,3b,4,5,5a,9b,10,11-decahydro-1H-indeno[5,4-f]quinolin-6-yl]-2-[4-(trifluoromethyl)phenyl]propanamide
SMILESCC(C(N)=O)(c1ccc(C(F)(F)F)cc1)N1C(=O)C=C[C@@]2(C)C1CC[C@@H]1[C@H]2CC[C@]2(C)CCC[C@@H]12
InChIInChI=1S/C28H35F3N2O2/c1-25-14-4-5-20(25)19-10-11-22-26(2,21(19)12-15-25)16-13-23(34)33(22)27(3,24(32)35)17-6-8-18(9-7-17)28(29,30)31/h6-9,13,16,19-22H,4-5,10-12,14-15H2,1-3H3,(H2,32,35)/t19-,20-,21+,22?,25-,26+,27?/m0/s1
InChIKeyWGUJHIFRUHBVIU-HYUXDYLXSA-N
XLogP5.81
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.59
LogP ≤ 55.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[(3aS,3bS,9aR,9bR,11aS)-9a,11a-dimethyl-7-oxo-2,3,3a,3b,4,5,5a,9b,10,11-decahydro-1H-indeno[5,4-f]quinolin-6-yl]-2-[4-(trifluoromethyl)phenyl]propanamide with MolForge

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Related Compounds

2-[(3aS,3bS,9aR,9bR,11aS)-9a,11a-dimethyl-7-oxo-2,3,3a,3b,4,5,5a,9b,10,11-decahydro-1H-indeno[5,4-f]quinolin-6-yl]-2-(2-chlorophenyl)propanamide
CID 90967075
(3aS,3bS,5aR,9aR,9bS,11aS)-9a,11a-dimethyl-7-oxo-N-[1-[4-(trifluoromethyl)phenyl]cyclopentyl]-2,3,3a,3b,4,5,5a,9b,10,11-decahydro-1H-indeno[5,4-f]quinoline-6-carboxamide
CID 67599052
(3aS,3bS,5aR,9aR,9bS,11aS)-N-[1-(4-tert-butylphenyl)cyclopentyl]-9a,11a-dimethyl-7-oxo-2,3,3a,3b,4,5,5a,9b,10,11-decahydro-1H-indeno[5,4-f]quinoline-6-carboxamide
CID 67596262
2-[(3aS,3bS,9aR,9bR,11aS)-9a,11a-dimethyl-7-oxo-2,3,3a,3b,4,5,5a,9b,10,11-decahydro-1H-indeno[5,4-f]quinolin-6-yl]-1-methyl-2-phenylcyclopropane-1-carboxamide
CID 91332959
N-[(3aS,3bS,9aR,9bR,11aS)-9a,11a-dimethyl-7-oxo-2,3,3a,3b,4,5,5a,9b,10,11-decahydro-1H-indeno[5,4-f]quinolin-6-yl]-4-hydroxy-N,2-dimethylbenzenesulfonamide
CID 91371771
(3aS,3bS,5aR,9aR,9bS,11aS)-N-[1-(2,4-dichlorophenyl)cyclopropyl]-9a,11a-dimethyl-7-oxo-2,3,3a,3b,4,5,5a,9b,10,11-decahydro-1H-indeno[5,4-f]quinoline-6-carboxamide
CID 67596636
N-[(3aS,3bS,9aR,9bR,11aS)-9a,11a-dimethyl-7-oxo-2,3,3a,3b,4,5,5a,9b,10,11-decahydro-1H-indeno[5,4-f]quinolin-6-yl]-3-(2-chlorophenyl)butanamide
CID 91215746
(3aS,3bS,5aR,9aR,9bS,11aS)-N-[1-(1,3-benzodioxol-5-yl)cyclohexyl]-9a,11a-dimethyl-7-oxo-2,3,3a,3b,4,5,5a,9b,10,11-decahydro-1H-indeno[5,4-f]quinoline-6-carboxamide
CID 57142621
N-[(3aS,3bS,9aR,9bR,11aS)-6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,5,5a,9b,10,11-decahydro-1H-indeno[5,4-f]quinolin-1-yl]-2,2,2-trifluoroacetamide
CID 57012847
(1S,2E,3aS,3bR,5aR,9aR,9bS,11aS)-1-hydroxy-6,9a,11a-trimethyl-2-[[3-(trifluoromethyl)phenyl]methylidene]-1,3,3a,3b,4,5,5a,9b,10,11-decahydroindeno[5,4-f]quinolin-7-one
CID 10238573
(3aS,3bS,4S,5aR,9aR,9bS,11aS)-N-[2-(4-acetamidophenyl)propan-2-yl]-6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,5,5a,9b,10,11-decahydro-1H-indeno[5,4-f]quinoline-4-carboxamide
CID 67853035
(3aS,3bS,9aS,9bR,11aS)-N-[4-chloro-2-(trifluoromethyl)phenyl]-6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,5,5a,9b,10,11-decahydro-1H-indeno[5,4-f]quinoline-8-carboxamide
CID 91398176

Frequently Asked Questions

What is the IUPAC name of 2-[(3aS,3bS,9aR,9bR,11aS)-9a,11a-dimethyl-7-oxo-2,3,3a,3b,4,5,5a,9b,10,11-decahydro-1H-indeno[5,4-f]quinolin-6-yl]-2-[4-(trifluoromethyl)phenyl]propanamide?
The IUPAC name of 2-[(3aS,3bS,9aR,9bR,11aS)-9a,11a-dimethyl-7-oxo-2,3,3a,3b,4,5,5a,9b,10,11-decahydro-1H-indeno[5,4-f]quinolin-6-yl]-2-[4-(trifluoromethyl)phenyl]propanamide (CID 91383618) is 2-[(3aS,3bS,9aR,9bR,11aS)-9a,11a-dimethyl-7-oxo-2,3,3a,3b,4,5,5a,9b,10,11-decahydro-1H-indeno[5,4-f]quinolin-6-yl]-2-[4-(trifluoromethyl)phenyl]propanamide.
What is the SMILES notation for 2-[(3aS,3bS,9aR,9bR,11aS)-9a,11a-dimethyl-7-oxo-2,3,3a,3b,4,5,5a,9b,10,11-decahydro-1H-indeno[5,4-f]quinolin-6-yl]-2-[4-(trifluoromethyl)phenyl]propanamide?
The canonical SMILES for 2-[(3aS,3bS,9aR,9bR,11aS)-9a,11a-dimethyl-7-oxo-2,3,3a,3b,4,5,5a,9b,10,11-decahydro-1H-indeno[5,4-f]quinolin-6-yl]-2-[4-(trifluoromethyl)phenyl]propanamide is CC(C(N)=O)(c1ccc(C(F)(F)F)cc1)N1C(=O)C=C[C@@]2(C)C1CC[C@@H]1[C@H]2CC[C@]2(C)CCC[C@@H]12.
What is the InChIKey of 2-[(3aS,3bS,9aR,9bR,11aS)-9a,11a-dimethyl-7-oxo-2,3,3a,3b,4,5,5a,9b,10,11-decahydro-1H-indeno[5,4-f]quinolin-6-yl]-2-[4-(trifluoromethyl)phenyl]propanamide?
The InChIKey is WGUJHIFRUHBVIU-HYUXDYLXSA-N. The full InChI is InChI=1S/C28H35F3N2O2/c1-25-14-4-5-20(25)19-10-11-22-26(2,21(19)12-15-25)16-13-23(34)33(22)27(3,24(32)35)17-6-8-18(9-7-17)28(29,30)31/h6-9,13,16,19-22H,4-5,10-12,14-15H2,1-3H3,(H2,32,35)/t19-,20-,21+,22?,25-,26+,27?/m0/s1.
What are the key properties of 2-[(3aS,3bS,9aR,9bR,11aS)-9a,11a-dimethyl-7-oxo-2,3,3a,3b,4,5,5a,9b,10,11-decahydro-1H-indeno[5,4-f]quinolin-6-yl]-2-[4-(trifluoromethyl)phenyl]propanamide?
2-[(3aS,3bS,9aR,9bR,11aS)-9a,11a-dimethyl-7-oxo-2,3,3a,3b,4,5,5a,9b,10,11-decahydro-1H-indeno[5,4-f]quinolin-6-yl]-2-[4-(trifluoromethyl)phenyl]propanamide has a molecular weight of 488.59 g/mol, XLogP of 5.81, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3aS,3bS,9aR,9bR,11aS)-9a,11a-dimethyl-7-oxo-2,3,3a,3b,4,5,5a,9b,10,11-decahydro-1H-indeno[5,4-f]quinolin-6-yl]-2-[4-(trifluoromethyl)phenyl]propanamide is sourced from PubChem (CID 91383618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).