2-[4-(2,6-dichloro-4-fluorophenyl)quinolin-7-yl]oxy-1-piperidin-1-ylpropan-1-one;formic acid

C24H23Cl2FN2O4 — CID 155694759

About 2-[4-(2,6-dichloro-4-fluorophenyl)quinolin-7-yl]oxy-1-piperidin-1-ylpropan-1-one;formic acid

2-[4-(2,6-dichloro-4-fluorophenyl)quinolin-7-yl]oxy-1-piperidin-1-ylpropan-1-one;formic acid (PubChem CID 155694759) has the molecular formula C24H23Cl2FN2O4 and a molecular weight of 493.36 g/mol. Its IUPAC name is 2-[4-(2,6-dichloro-4-fluorophenyl)quinolin-7-yl]oxy-1-piperidin-1-ylpropan-1-one;formic acid.

Molecular Properties

• Compound Name: 2-[4-(2,6-dichloro-4-fluorophenyl)quinolin-7-yl]oxy-1-piperidin-1-ylpropan-1-one;formic acid
• PubChem CID: 155694759
• Molecular Formula: C24H23Cl2FN2O4
• Molecular Weight: 493.36 g/mol
• Exact Mass: 492.10
• IUPAC Name: 2-[4-(2,6-dichloro-4-fluorophenyl)quinolin-7-yl]oxy-1-piperidin-1-ylpropan-1-one;formic acid
• SMILES: CC(Oc1ccc2c(-c3c(Cl)cc(F)cc3Cl)ccnc2c1)C(=O)N1CCCCC1.O=CO
• InChI: InChI=1S/C23H21Cl2FN2O2.CH2O2/c1-14(23(29)28-9-3-2-4-10-28)30-16-5-6-17-18(7-8-27-21(17)13-16)22-19(24)11-15(26)12-20(22)25;2-1-3/h5-8,11-14H,2-4,9-10H2,1H3;1H,(H,2,3)
• InChIKey: FONBOHREHDSPSK-UHFFFAOYSA-N
• XLogP: 5.83
• TPSA: 79.73 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	493.36
LogP ≤ 5	5.83
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,6-dichloro-4-fluorophenyl)quinolin-7-yl]oxy-1-piperidin-1-ylpropan-1-one;formic acid?

The IUPAC name of 2-[4-(2,6-dichloro-4-fluorophenyl)quinolin-7-yl]oxy-1-piperidin-1-ylpropan-1-one;formic acid (CID 155694759) is 2-[4-(2,6-dichloro-4-fluorophenyl)quinolin-7-yl]oxy-1-piperidin-1-ylpropan-1-one;formic acid.

What is the SMILES notation for 2-[4-(2,6-dichloro-4-fluorophenyl)quinolin-7-yl]oxy-1-piperidin-1-ylpropan-1-one;formic acid?

The canonical SMILES for 2-[4-(2,6-dichloro-4-fluorophenyl)quinolin-7-yl]oxy-1-piperidin-1-ylpropan-1-one;formic acid is CC(Oc1ccc2c(-c3c(Cl)cc(F)cc3Cl)ccnc2c1)C(=O)N1CCCCC1.O=CO.

What is the InChIKey of 2-[4-(2,6-dichloro-4-fluorophenyl)quinolin-7-yl]oxy-1-piperidin-1-ylpropan-1-one;formic acid?

The InChIKey is FONBOHREHDSPSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21Cl2FN2O2.CH2O2/c1-14(23(29)28-9-3-2-4-10-28)30-16-5-6-17-18(7-8-27-21(17)13-16)22-19(24)11-15(26)12-20(22)25;2-1-3/h5-8,11-14H,2-4,9-10H2,1H3;1H,(H,2,3).

What are the key properties of 2-[4-(2,6-dichloro-4-fluorophenyl)quinolin-7-yl]oxy-1-piperidin-1-ylpropan-1-one;formic acid?

2-[4-(2,6-dichloro-4-fluorophenyl)quinolin-7-yl]oxy-1-piperidin-1-ylpropan-1-one;formic acid has a molecular weight of 493.36 g/mol, XLogP of 5.83, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-(2,6-dichloro-4-fluorophenyl)quinolin-7-yl]oxy-1-piperidin-1-ylpropan-1-one;formic acid is sourced from PubChem (CID 155694759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).