6-[4-(trifluoromethoxy)phenyl]-6,6a,7,11b-tetrahydro-5H-indeno[2,1-c]quinoline-2-carboximidamide

C24H20F3N3O — CID 22633329

About 6-[4-(trifluoromethoxy)phenyl]-6,6a,7,11b-tetrahydro-5H-indeno[2,1-c]quinoline-2-carboximidamide

6-[4-(trifluoromethoxy)phenyl]-6,6a,7,11b-tetrahydro-5H-indeno[2,1-c]quinoline-2-carboximidamide (PubChem CID 22633329) has the molecular formula C24H20F3N3O and a molecular weight of 423.44 g/mol. Its IUPAC name is 6-[4-(trifluoromethoxy)phenyl]-6,6a,7,11b-tetrahydro-5H-indeno[2,1-c]quinoline-2-carboximidamide.

Molecular Properties

• Compound Name: 6-[4-(trifluoromethoxy)phenyl]-6,6a,7,11b-tetrahydro-5H-indeno[2,1-c]quinoline-2-carboximidamide
• PubChem CID: 22633329
• Molecular Formula: C24H20F3N3O
• Molecular Weight: 423.44 g/mol
• Exact Mass: 423.16
• IUPAC Name: 6-[4-(trifluoromethoxy)phenyl]-6,6a,7,11b-tetrahydro-5H-indeno[2,1-c]quinoline-2-carboximidamide
• SMILES: [H]/N=C(\N)c1ccc2c(c1)C1c3ccccc3CC1C(c1ccc(OC(F)(F)F)cc1)N2
• InChI: InChI=1S/C24H20F3N3O/c25-24(26,27)31-16-8-5-13(6-9-16)22-19-11-14-3-1-2-4-17(14)21(19)18-12-15(23(28)29)7-10-20(18)30-22/h1-10,12,19,21-22,30H,11H2,(H3,28,29)
• InChIKey: AIUKWUXNVJAAMJ-UHFFFAOYSA-N
• XLogP: 5.34
• TPSA: 71.13 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	423.44
LogP ≤ 5	5.34
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-[4-(trifluoromethoxy)phenyl]-6,6a,7,11b-tetrahydro-5H-indeno[2,1-c]quinoline-2-carboximidamide?

The IUPAC name of 6-[4-(trifluoromethoxy)phenyl]-6,6a,7,11b-tetrahydro-5H-indeno[2,1-c]quinoline-2-carboximidamide (CID 22633329) is 6-[4-(trifluoromethoxy)phenyl]-6,6a,7,11b-tetrahydro-5H-indeno[2,1-c]quinoline-2-carboximidamide.

What is the SMILES notation for 6-[4-(trifluoromethoxy)phenyl]-6,6a,7,11b-tetrahydro-5H-indeno[2,1-c]quinoline-2-carboximidamide?

The canonical SMILES for 6-[4-(trifluoromethoxy)phenyl]-6,6a,7,11b-tetrahydro-5H-indeno[2,1-c]quinoline-2-carboximidamide is [H]/N=C(\N)c1ccc2c(c1)C1c3ccccc3CC1C(c1ccc(OC(F)(F)F)cc1)N2.

What is the InChIKey of 6-[4-(trifluoromethoxy)phenyl]-6,6a,7,11b-tetrahydro-5H-indeno[2,1-c]quinoline-2-carboximidamide?

The InChIKey is AIUKWUXNVJAAMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F3N3O/c25-24(26,27)31-16-8-5-13(6-9-16)22-19-11-14-3-1-2-4-17(14)21(19)18-12-15(23(28)29)7-10-20(18)30-22/h1-10,12,19,21-22,30H,11H2,(H3,28,29).

What are the key properties of 6-[4-(trifluoromethoxy)phenyl]-6,6a,7,11b-tetrahydro-5H-indeno[2,1-c]quinoline-2-carboximidamide?

6-[4-(trifluoromethoxy)phenyl]-6,6a,7,11b-tetrahydro-5H-indeno[2,1-c]quinoline-2-carboximidamide has a molecular weight of 423.44 g/mol, XLogP of 5.34, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[4-(trifluoromethoxy)phenyl]-6,6a,7,11b-tetrahydro-5H-indeno[2,1-c]quinoline-2-carboximidamide is sourced from PubChem (CID 22633329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).