3-[5-[6-(4-fluorophenyl)naphthalen-2-yl]-2-pyridinyl]quinoline

C30H19FN2 — CID 169293981

IUPAC3-[5-[6-(4-fluorophenyl)naphthalen-2-yl]-2-pyridinyl]quinoline
SMILESFc1ccc(-c2ccc3cc(-c4ccc(-c5cnc6ccccc6c5)nc4)ccc3c2)cc1
InChIInChI=1S/C30H19FN2/c31-28-12-9-20(10-13-28)21-5-6-23-16-24(8-7-22(23)15-21)26-11-14-30(32-18-26)27-17-25-3-1-2-4-29(25)33-19-27/h1-19H
InChIKeyWYIKDQBSBRXJKG-UHFFFAOYSA-N
MW426.49 g/mol
LogP7.92
Rot. Bonds3

About 3-[5-[6-(4-fluorophenyl)naphthalen-2-yl]-2-pyridinyl]quinoline

3-[5-[6-(4-fluorophenyl)naphthalen-2-yl]-2-pyridinyl]quinoline (PubChem CID 169293981) has the molecular formula C30H19FN2 and a molecular weight of 426.49 g/mol. Its IUPAC name is 3-[5-[6-(4-fluorophenyl)naphthalen-2-yl]-2-pyridinyl]quinoline.

Molecular Properties

Compound Name3-[5-[6-(4-fluorophenyl)naphthalen-2-yl]-2-pyridinyl]quinoline
PubChem CID169293981
Molecular FormulaC30H19FN2
Molecular Weight426.49 g/mol
Exact Mass426.15
IUPAC Name3-[5-[6-(4-fluorophenyl)naphthalen-2-yl]-2-pyridinyl]quinoline
SMILESFc1ccc(-c2ccc3cc(-c4ccc(-c5cnc6ccccc6c5)nc4)ccc3c2)cc1
InChIInChI=1S/C30H19FN2/c31-28-12-9-20(10-13-28)21-5-6-23-16-24(8-7-22(23)15-21)26-11-14-30(32-18-26)27-17-25-3-1-2-4-29(25)33-19-27/h1-19H
InChIKeyWYIKDQBSBRXJKG-UHFFFAOYSA-N
XLogP7.92
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms33
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.49
LogP ≤ 57.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[5-[6-(4-fluorophenyl)naphthalen-2-yl]-2-pyridinyl]quinoline?
The IUPAC name of 3-[5-[6-(4-fluorophenyl)naphthalen-2-yl]-2-pyridinyl]quinoline (CID 169293981) is 3-[5-[6-(4-fluorophenyl)naphthalen-2-yl]-2-pyridinyl]quinoline.
What is the SMILES notation for 3-[5-[6-(4-fluorophenyl)naphthalen-2-yl]-2-pyridinyl]quinoline?
The canonical SMILES for 3-[5-[6-(4-fluorophenyl)naphthalen-2-yl]-2-pyridinyl]quinoline is Fc1ccc(-c2ccc3cc(-c4ccc(-c5cnc6ccccc6c5)nc4)ccc3c2)cc1.
What is the InChIKey of 3-[5-[6-(4-fluorophenyl)naphthalen-2-yl]-2-pyridinyl]quinoline?
The InChIKey is WYIKDQBSBRXJKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H19FN2/c31-28-12-9-20(10-13-28)21-5-6-23-16-24(8-7-22(23)15-21)26-11-14-30(32-18-26)27-17-25-3-1-2-4-29(25)33-19-27/h1-19H.
What are the key properties of 3-[5-[6-(4-fluorophenyl)naphthalen-2-yl]-2-pyridinyl]quinoline?
3-[5-[6-(4-fluorophenyl)naphthalen-2-yl]-2-pyridinyl]quinoline has a molecular weight of 426.49 g/mol, XLogP of 7.92, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[6-(4-fluorophenyl)naphthalen-2-yl]-2-pyridinyl]quinoline is sourced from PubChem (CID 169293981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).