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

C30H26FN3O2 — CID 22633151

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

6-[2-(2-fluorophenyl)-4-hydroxy-5-methoxyphenyl]-6,6a,7,11b-tetrahydro-5H-indeno[2,1-c]quinoline-2-carboximidamide (PubChem CID 22633151) has the molecular formula C30H26FN3O2 and a molecular weight of 479.56 g/mol. Its IUPAC name is 6-[2-(2-fluorophenyl)-4-hydroxy-5-methoxyphenyl]-6,6a,7,11b-tetrahydro-5H-indeno[2,1-c]quinoline-2-carboximidamide.

Molecular Properties

• Compound Name: 6-[2-(2-fluorophenyl)-4-hydroxy-5-methoxyphenyl]-6,6a,7,11b-tetrahydro-5H-indeno[2,1-c]quinoline-2-carboximidamide
• PubChem CID: 22633151
• Molecular Formula: C30H26FN3O2
• Molecular Weight: 479.56 g/mol
• Exact Mass: 479.20
• IUPAC Name: 6-[2-(2-fluorophenyl)-4-hydroxy-5-methoxyphenyl]-6,6a,7,11b-tetrahydro-5H-indeno[2,1-c]quinoline-2-carboximidamide
• SMILES: [H]/N=C(\N)c1ccc2c(c1)C1c3ccccc3CC1C(c1cc(OC)c(O)cc1-c1ccccc1F)N2
• InChI: InChI=1S/C30H26FN3O2/c1-36-27-15-21(20(14-26(27)35)19-8-4-5-9-24(19)31)29-23-12-16-6-2-3-7-18(16)28(23)22-13-17(30(32)33)10-11-25(22)34-29/h2-11,13-15,23,28-29,34-35H,12H2,1H3,(H3,32,33)
• InChIKey: SGFWQXCADVDHJD-UHFFFAOYSA-N
• XLogP: 5.96
• TPSA: 91.36 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	479.56
LogP ≤ 5	5.96
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	4

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-(2-fluorophenyl)-4-hydroxy-5-methoxyphenyl]-6,6a,7,11b-tetrahydro-5H-indeno[2,1-c]quinoline-2-carboximidamide?

The IUPAC name of 6-[2-(2-fluorophenyl)-4-hydroxy-5-methoxyphenyl]-6,6a,7,11b-tetrahydro-5H-indeno[2,1-c]quinoline-2-carboximidamide (CID 22633151) is 6-[2-(2-fluorophenyl)-4-hydroxy-5-methoxyphenyl]-6,6a,7,11b-tetrahydro-5H-indeno[2,1-c]quinoline-2-carboximidamide.

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

The canonical SMILES for 6-[2-(2-fluorophenyl)-4-hydroxy-5-methoxyphenyl]-6,6a,7,11b-tetrahydro-5H-indeno[2,1-c]quinoline-2-carboximidamide is [H]/N=C(\N)c1ccc2c(c1)C1c3ccccc3CC1C(c1cc(OC)c(O)cc1-c1ccccc1F)N2.

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

The InChIKey is SGFWQXCADVDHJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26FN3O2/c1-36-27-15-21(20(14-26(27)35)19-8-4-5-9-24(19)31)29-23-12-16-6-2-3-7-18(16)28(23)22-13-17(30(32)33)10-11-25(22)34-29/h2-11,13-15,23,28-29,34-35H,12H2,1H3,(H3,32,33).

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

6-[2-(2-fluorophenyl)-4-hydroxy-5-methoxyphenyl]-6,6a,7,11b-tetrahydro-5H-indeno[2,1-c]quinoline-2-carboximidamide has a molecular weight of 479.56 g/mol, XLogP of 5.96, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[2-(2-fluorophenyl)-4-hydroxy-5-methoxyphenyl]-6,6a,7,11b-tetrahydro-5H-indeno[2,1-c]quinoline-2-carboximidamide is sourced from PubChem (CID 22633151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).