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

C21H29F3N2O2 — CID 57012847

IUPACN-[(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
SMILESCN1C(=O)C=C[C@@]2(C)C1CC[C@@H]1[C@H]2CC[C@]2(C)C(NC(=O)C(F)(F)F)CC[C@@H]12
InChIInChI=1S/C21H29F3N2O2/c1-19-10-8-14-12(4-7-16-20(14,2)11-9-17(27)26(16)3)13(19)5-6-15(19)25-18(28)21(22,23)24/h9,11-16H,4-8,10H2,1-3H3,(H,25,28)/t12-,13-,14+,15?,16?,19-,20+/m0/s1
InChIKeyZRHYIOKJFKREQD-FDVPAMQASA-N
MW398.47 g/mol
LogP3.67
Rot. Bonds1

About 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

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 (PubChem CID 57012847) has the molecular formula C21H29F3N2O2 and a molecular weight of 398.47 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[(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
PubChem CID57012847
Molecular FormulaC21H29F3N2O2
Molecular Weight398.47 g/mol
Exact Mass398.22
IUPAC NameN-[(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
SMILESCN1C(=O)C=C[C@@]2(C)C1CC[C@@H]1[C@H]2CC[C@]2(C)C(NC(=O)C(F)(F)F)CC[C@@H]12
InChIInChI=1S/C21H29F3N2O2/c1-19-10-8-14-12(4-7-16-20(14,2)11-9-17(27)26(16)3)13(19)5-6-15(19)25-18(28)21(22,23)24/h9,11-16H,4-8,10H2,1-3H3,(H,25,28)/t12-,13-,14+,15?,16?,19-,20+/m0/s1
InChIKeyZRHYIOKJFKREQD-FDVPAMQASA-N
XLogP3.67
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.47
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CN1C(=O)C=C[C@@]2(C)C1CC[C@@H]1[C@H]2CC[C@]2(C)C(NC(=O)C(F)(F)F)CC[C@@H]12.
What is the InChIKey of 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?
The InChIKey is ZRHYIOKJFKREQD-FDVPAMQASA-N. The full InChI is InChI=1S/C21H29F3N2O2/c1-19-10-8-14-12(4-7-16-20(14,2)11-9-17(27)26(16)3)13(19)5-6-15(19)25-18(28)21(22,23)24/h9,11-16H,4-8,10H2,1-3H3,(H,25,28)/t12-,13-,14+,15?,16?,19-,20+/m0/s1.
What are the key properties of 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?
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 has a molecular weight of 398.47 g/mol, XLogP of 3.67, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 57012847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).