2,4-dichloro-6-(8-fluoro-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl)phenol

C18H14Cl2FNO — CID 17239631

About 2,4-dichloro-6-(8-fluoro-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl)phenol

2,4-dichloro-6-(8-fluoro-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl)phenol (PubChem CID 17239631) has the molecular formula C18H14Cl2FNO and a molecular weight of 350.22 g/mol. Its IUPAC name is 2,4-dichloro-6-(8-fluoro-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl)phenol.

Molecular Properties

• Compound Name: 2,4-dichloro-6-(8-fluoro-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl)phenol
• PubChem CID: 17239631
• Molecular Formula: C18H14Cl2FNO
• Molecular Weight: 350.22 g/mol
• Exact Mass: 349.04
• IUPAC Name: 2,4-dichloro-6-(8-fluoro-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl)phenol
• SMILES: Oc1c(Cl)cc(Cl)cc1C1Nc2ccc(F)cc2C2C=CCC21
• InChI: InChI=1S/C18H14Cl2FNO/c19-9-6-14(18(23)15(20)7-9)17-12-3-1-2-11(12)13-8-10(21)4-5-16(13)22-17/h1-2,4-8,11-12,17,22-23H,3H2
• InChIKey: GARRIRFTPJZPQF-UHFFFAOYSA-N
• XLogP: 5.66
• TPSA: 32.26 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 2
• Rotatable Bonds: 1
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	350.22
LogP ≤ 5	5.66
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'anil_alk_ene(51)', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-6-(8-fluoro-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl)phenol?

The IUPAC name of 2,4-dichloro-6-(8-fluoro-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl)phenol (CID 17239631) is 2,4-dichloro-6-(8-fluoro-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl)phenol.

What is the SMILES notation for 2,4-dichloro-6-(8-fluoro-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl)phenol?

The canonical SMILES for 2,4-dichloro-6-(8-fluoro-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl)phenol is Oc1c(Cl)cc(Cl)cc1C1Nc2ccc(F)cc2C2C=CCC21.

What is the InChIKey of 2,4-dichloro-6-(8-fluoro-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl)phenol?

The InChIKey is GARRIRFTPJZPQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14Cl2FNO/c19-9-6-14(18(23)15(20)7-9)17-12-3-1-2-11(12)13-8-10(21)4-5-16(13)22-17/h1-2,4-8,11-12,17,22-23H,3H2.

What are the key properties of 2,4-dichloro-6-(8-fluoro-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl)phenol?

2,4-dichloro-6-(8-fluoro-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl)phenol has a molecular weight of 350.22 g/mol, XLogP of 5.66, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 2,4-dichloro-6-(8-fluoro-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl)phenol is sourced from PubChem (CID 17239631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).