6-(2,3,4,5,6-pentafluorophenyl)-6,6a,7,11b-tetrahydro-5H-indeno[2,1-c]quinoline-2-carboximidamide

C23H16F5N3 — CID 10224529

About 6-(2,3,4,5,6-pentafluorophenyl)-6,6a,7,11b-tetrahydro-5H-indeno[2,1-c]quinoline-2-carboximidamide

6-(2,3,4,5,6-pentafluorophenyl)-6,6a,7,11b-tetrahydro-5H-indeno[2,1-c]quinoline-2-carboximidamide (PubChem CID 10224529) has the molecular formula C23H16F5N3 and a molecular weight of 429.39 g/mol. Its IUPAC name is 6-(2,3,4,5,6-pentafluorophenyl)-6,6a,7,11b-tetrahydro-5H-indeno[2,1-c]quinoline-2-carboximidamide.

Molecular Properties

• Compound Name: 6-(2,3,4,5,6-pentafluorophenyl)-6,6a,7,11b-tetrahydro-5H-indeno[2,1-c]quinoline-2-carboximidamide
• PubChem CID: 10224529
• Molecular Formula: C23H16F5N3
• Molecular Weight: 429.39 g/mol
• Exact Mass: 429.13
• IUPAC Name: 6-(2,3,4,5,6-pentafluorophenyl)-6,6a,7,11b-tetrahydro-5H-indeno[2,1-c]quinoline-2-carboximidamide
• SMILES: [H]/N=C(\N)c1ccc2c(c1)C1c3ccccc3CC1C(c1c(F)c(F)c(F)c(F)c1F)N2
• InChI: InChI=1S/C23H16F5N3/c24-17-16(18(25)20(27)21(28)19(17)26)22-13-7-9-3-1-2-4-11(9)15(13)12-8-10(23(29)30)5-6-14(12)31-22/h1-6,8,13,15,22,31H,7H2,(H3,29,30)
• InChIKey: GXTHTEPIDABHPZ-UHFFFAOYSA-N
• XLogP: 5.14
• 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	429.39
LogP ≤ 5	5.14
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-(2,3,4,5,6-pentafluorophenyl)-6,6a,7,11b-tetrahydro-5H-indeno[2,1-c]quinoline-2-carboximidamide?

The IUPAC name of 6-(2,3,4,5,6-pentafluorophenyl)-6,6a,7,11b-tetrahydro-5H-indeno[2,1-c]quinoline-2-carboximidamide (CID 10224529) is 6-(2,3,4,5,6-pentafluorophenyl)-6,6a,7,11b-tetrahydro-5H-indeno[2,1-c]quinoline-2-carboximidamide.

What is the SMILES notation for 6-(2,3,4,5,6-pentafluorophenyl)-6,6a,7,11b-tetrahydro-5H-indeno[2,1-c]quinoline-2-carboximidamide?

The canonical SMILES for 6-(2,3,4,5,6-pentafluorophenyl)-6,6a,7,11b-tetrahydro-5H-indeno[2,1-c]quinoline-2-carboximidamide is [H]/N=C(\N)c1ccc2c(c1)C1c3ccccc3CC1C(c1c(F)c(F)c(F)c(F)c1F)N2.

What is the InChIKey of 6-(2,3,4,5,6-pentafluorophenyl)-6,6a,7,11b-tetrahydro-5H-indeno[2,1-c]quinoline-2-carboximidamide?

The InChIKey is GXTHTEPIDABHPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16F5N3/c24-17-16(18(25)20(27)21(28)19(17)26)22-13-7-9-3-1-2-4-11(9)15(13)12-8-10(23(29)30)5-6-14(12)31-22/h1-6,8,13,15,22,31H,7H2,(H3,29,30).

What are the key properties of 6-(2,3,4,5,6-pentafluorophenyl)-6,6a,7,11b-tetrahydro-5H-indeno[2,1-c]quinoline-2-carboximidamide?

6-(2,3,4,5,6-pentafluorophenyl)-6,6a,7,11b-tetrahydro-5H-indeno[2,1-c]quinoline-2-carboximidamide has a molecular weight of 429.39 g/mol, XLogP of 5.14, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(2,3,4,5,6-pentafluorophenyl)-6,6a,7,11b-tetrahydro-5H-indeno[2,1-c]quinoline-2-carboximidamide is sourced from PubChem (CID 10224529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).