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

C24H19ClF3N3 — CID 22633340

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

6-[2-chloro-5-(trifluoromethyl)phenyl]-6,6a,7,11b-tetrahydro-5H-indeno[2,1-c]quinoline-2-carboximidamide (PubChem CID 22633340) has the molecular formula C24H19ClF3N3 and a molecular weight of 441.88 g/mol. Its IUPAC name is 6-[2-chloro-5-(trifluoromethyl)phenyl]-6,6a,7,11b-tetrahydro-5H-indeno[2,1-c]quinoline-2-carboximidamide.

Molecular Properties

• Compound Name: 6-[2-chloro-5-(trifluoromethyl)phenyl]-6,6a,7,11b-tetrahydro-5H-indeno[2,1-c]quinoline-2-carboximidamide
• PubChem CID: 22633340
• Molecular Formula: C24H19ClF3N3
• Molecular Weight: 441.88 g/mol
• Exact Mass: 441.12
• IUPAC Name: 6-[2-chloro-5-(trifluoromethyl)phenyl]-6,6a,7,11b-tetrahydro-5H-indeno[2,1-c]quinoline-2-carboximidamide
• SMILES: [H]/N=C(\N)c1ccc2c(c1)C1c3ccccc3CC1C(c1cc(C(F)(F)F)ccc1Cl)N2
• InChI: InChI=1S/C24H19ClF3N3/c25-19-7-6-14(24(26,27)28)11-16(19)22-18-9-12-3-1-2-4-15(12)21(18)17-10-13(23(29)30)5-8-20(17)31-22/h1-8,10-11,18,21-22,31H,9H2,(H3,29,30)
• InChIKey: ARGHRJOBHAYXSV-UHFFFAOYSA-N
• XLogP: 6.11
• TPSA: 61.90 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 2
• Rotatable Bonds: 2
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	441.88
LogP ≤ 5	6.11
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	2

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

The IUPAC name of 6-[2-chloro-5-(trifluoromethyl)phenyl]-6,6a,7,11b-tetrahydro-5H-indeno[2,1-c]quinoline-2-carboximidamide (CID 22633340) is 6-[2-chloro-5-(trifluoromethyl)phenyl]-6,6a,7,11b-tetrahydro-5H-indeno[2,1-c]quinoline-2-carboximidamide.

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

The canonical SMILES for 6-[2-chloro-5-(trifluoromethyl)phenyl]-6,6a,7,11b-tetrahydro-5H-indeno[2,1-c]quinoline-2-carboximidamide is [H]/N=C(\N)c1ccc2c(c1)C1c3ccccc3CC1C(c1cc(C(F)(F)F)ccc1Cl)N2.

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

The InChIKey is ARGHRJOBHAYXSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19ClF3N3/c25-19-7-6-14(24(26,27)28)11-16(19)22-18-9-12-3-1-2-4-15(12)21(18)17-10-13(23(29)30)5-8-20(17)31-22/h1-8,10-11,18,21-22,31H,9H2,(H3,29,30).

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

6-[2-chloro-5-(trifluoromethyl)phenyl]-6,6a,7,11b-tetrahydro-5H-indeno[2,1-c]quinoline-2-carboximidamide has a molecular weight of 441.88 g/mol, XLogP of 6.11, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[2-chloro-5-(trifluoromethyl)phenyl]-6,6a,7,11b-tetrahydro-5H-indeno[2,1-c]quinoline-2-carboximidamide is sourced from PubChem (CID 22633340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).