(3aS,3bS,9aR,9bR,11aS)-6-cyclopropyl-9a,11a-dimethyl-7-oxo-N-[2-(trifluoromethyl)phenyl]-2,3,3a,3b,4,8,9,9b,10,11-decahydro-1H-indeno[5,4-f]quinoline-1-carboxamide

C29H35F3N2O2 — CID 69357525

About (3aS,3bS,9aR,9bR,11aS)-6-cyclopropyl-9a,11a-dimethyl-7-oxo-N-[2-(trifluoromethyl)phenyl]-2,3,3a,3b,4,8,9,9b,10,11-decahydro-1H-indeno[5,4-f]quinoline-1-carboxamide

(3aS,3bS,9aR,9bR,11aS)-6-cyclopropyl-9a,11a-dimethyl-7-oxo-N-[2-(trifluoromethyl)phenyl]-2,3,3a,3b,4,8,9,9b,10,11-decahydro-1H-indeno[5,4-f]quinoline-1-carboxamide (PubChem CID 69357525) has the molecular formula C29H35F3N2O2 and a molecular weight of 500.61 g/mol. Its IUPAC name is (3aS,3bS,9aR,9bR,11aS)-6-cyclopropyl-9a,11a-dimethyl-7-oxo-N-[2-(trifluoromethyl)phenyl]-2,3,3a,3b,4,8,9,9b,10,11-decahydro-1H-indeno[5,4-f]quinoline-1-carboxamide.

Molecular Properties

• Compound Name: (3aS,3bS,9aR,9bR,11aS)-6-cyclopropyl-9a,11a-dimethyl-7-oxo-N-[2-(trifluoromethyl)phenyl]-2,3,3a,3b,4,8,9,9b,10,11-decahydro-1H-indeno[5,4-f]quinoline-1-carboxamide
• PubChem CID: 69357525
• Molecular Formula: C29H35F3N2O2
• Molecular Weight: 500.61 g/mol
• Exact Mass: 500.27
• IUPAC Name: (3aS,3bS,9aR,9bR,11aS)-6-cyclopropyl-9a,11a-dimethyl-7-oxo-N-[2-(trifluoromethyl)phenyl]-2,3,3a,3b,4,8,9,9b,10,11-decahydro-1H-indeno[5,4-f]quinoline-1-carboxamide
• SMILES: C[C@]12CCC(=O)N(C3CC3)C1=CC[C@@H]1[C@H]2CC[C@]2(C)C(C(=O)Nc3ccccc3C(F)(F)F)CC[C@@H]12
• InChI: InChI=1S/C29H35F3N2O2/c1-27-15-13-20-18(9-12-24-28(20,2)16-14-25(35)34(24)17-7-8-17)19(27)10-11-22(27)26(36)33-23-6-4-3-5-21(23)29(30,31)32/h3-6,12,17-20,22H,7-11,13-16H2,1-2H3,(H,33,36)/t18-,19-,20+,22?,27-,28+/m0/s1
• InChIKey: OLTZUOVMTAHLSX-GMVASINJSA-N
• XLogP: 6.78
• TPSA: 49.41 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 3
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	500.61
LogP ≤ 5	6.78
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of (3aS,3bS,9aR,9bR,11aS)-6-cyclopropyl-9a,11a-dimethyl-7-oxo-N-[2-(trifluoromethyl)phenyl]-2,3,3a,3b,4,8,9,9b,10,11-decahydro-1H-indeno[5,4-f]quinoline-1-carboxamide?

The IUPAC name of (3aS,3bS,9aR,9bR,11aS)-6-cyclopropyl-9a,11a-dimethyl-7-oxo-N-[2-(trifluoromethyl)phenyl]-2,3,3a,3b,4,8,9,9b,10,11-decahydro-1H-indeno[5,4-f]quinoline-1-carboxamide (CID 69357525) is (3aS,3bS,9aR,9bR,11aS)-6-cyclopropyl-9a,11a-dimethyl-7-oxo-N-[2-(trifluoromethyl)phenyl]-2,3,3a,3b,4,8,9,9b,10,11-decahydro-1H-indeno[5,4-f]quinoline-1-carboxamide.

What is the SMILES notation for (3aS,3bS,9aR,9bR,11aS)-6-cyclopropyl-9a,11a-dimethyl-7-oxo-N-[2-(trifluoromethyl)phenyl]-2,3,3a,3b,4,8,9,9b,10,11-decahydro-1H-indeno[5,4-f]quinoline-1-carboxamide?

The canonical SMILES for (3aS,3bS,9aR,9bR,11aS)-6-cyclopropyl-9a,11a-dimethyl-7-oxo-N-[2-(trifluoromethyl)phenyl]-2,3,3a,3b,4,8,9,9b,10,11-decahydro-1H-indeno[5,4-f]quinoline-1-carboxamide is C[C@]12CCC(=O)N(C3CC3)C1=CC[C@@H]1[C@H]2CC[C@]2(C)C(C(=O)Nc3ccccc3C(F)(F)F)CC[C@@H]12.

What is the InChIKey of (3aS,3bS,9aR,9bR,11aS)-6-cyclopropyl-9a,11a-dimethyl-7-oxo-N-[2-(trifluoromethyl)phenyl]-2,3,3a,3b,4,8,9,9b,10,11-decahydro-1H-indeno[5,4-f]quinoline-1-carboxamide?

The InChIKey is OLTZUOVMTAHLSX-GMVASINJSA-N. The full InChI is InChI=1S/C29H35F3N2O2/c1-27-15-13-20-18(9-12-24-28(20,2)16-14-25(35)34(24)17-7-8-17)19(27)10-11-22(27)26(36)33-23-6-4-3-5-21(23)29(30,31)32/h3-6,12,17-20,22H,7-11,13-16H2,1-2H3,(H,33,36)/t18-,19-,20+,22?,27-,28+/m0/s1.

What are the key properties of (3aS,3bS,9aR,9bR,11aS)-6-cyclopropyl-9a,11a-dimethyl-7-oxo-N-[2-(trifluoromethyl)phenyl]-2,3,3a,3b,4,8,9,9b,10,11-decahydro-1H-indeno[5,4-f]quinoline-1-carboxamide?

(3aS,3bS,9aR,9bR,11aS)-6-cyclopropyl-9a,11a-dimethyl-7-oxo-N-[2-(trifluoromethyl)phenyl]-2,3,3a,3b,4,8,9,9b,10,11-decahydro-1H-indeno[5,4-f]quinoline-1-carboxamide has a molecular weight of 500.61 g/mol, XLogP of 6.78, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for (3aS,3bS,9aR,9bR,11aS)-6-cyclopropyl-9a,11a-dimethyl-7-oxo-N-[2-(trifluoromethyl)phenyl]-2,3,3a,3b,4,8,9,9b,10,11-decahydro-1H-indeno[5,4-f]quinoline-1-carboxamide is sourced from PubChem (CID 69357525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).