[6-(4-fluorophenyl)-5-[4-(quinolin-2-ylmethoxy)phenyl]-2-pyridinyl] acetate

C29H21FN2O3 — CID 122196414

IUPAC[6-(4-fluorophenyl)-5-[4-(quinolin-2-ylmethoxy)phenyl]-2-pyridinyl] acetate
SMILESCC(=O)Oc1ccc(-c2ccc(OCc3ccc4ccccc4n3)cc2)c(-c2ccc(F)cc2)n1
InChIInChI=1S/C29H21FN2O3/c1-19(33)35-28-17-16-26(29(32-28)22-6-11-23(30)12-7-22)20-9-14-25(15-10-20)34-18-24-13-8-21-4-2-3-5-27(21)31-24/h2-17H,18H2,1H3
InChIKeyNMCWNZCOBPKTAG-UHFFFAOYSA-N
MW464.50 g/mol
LogP6.61
Rot. Bonds6

About [6-(4-fluorophenyl)-5-[4-(quinolin-2-ylmethoxy)phenyl]-2-pyridinyl] acetate

[6-(4-fluorophenyl)-5-[4-(quinolin-2-ylmethoxy)phenyl]-2-pyridinyl] acetate (PubChem CID 122196414) has the molecular formula C29H21FN2O3 and a molecular weight of 464.50 g/mol. Its IUPAC name is [6-(4-fluorophenyl)-5-[4-(quinolin-2-ylmethoxy)phenyl]-2-pyridinyl] acetate.

Molecular Properties

Compound Name[6-(4-fluorophenyl)-5-[4-(quinolin-2-ylmethoxy)phenyl]-2-pyridinyl] acetate
PubChem CID122196414
Molecular FormulaC29H21FN2O3
Molecular Weight464.50 g/mol
Exact Mass464.15
IUPAC Name[6-(4-fluorophenyl)-5-[4-(quinolin-2-ylmethoxy)phenyl]-2-pyridinyl] acetate
SMILESCC(=O)Oc1ccc(-c2ccc(OCc3ccc4ccccc4n3)cc2)c(-c2ccc(F)cc2)n1
InChIInChI=1S/C29H21FN2O3/c1-19(33)35-28-17-16-26(29(32-28)22-6-11-23(30)12-7-22)20-9-14-25(15-10-20)34-18-24-13-8-21-4-2-3-5-27(21)31-24/h2-17H,18H2,1H3
InChIKeyNMCWNZCOBPKTAG-UHFFFAOYSA-N
XLogP6.61
TPSA61.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.50
LogP ≤ 56.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [6-(4-fluorophenyl)-5-[4-(quinolin-2-ylmethoxy)phenyl]-2-pyridinyl] acetate?
The IUPAC name of [6-(4-fluorophenyl)-5-[4-(quinolin-2-ylmethoxy)phenyl]-2-pyridinyl] acetate (CID 122196414) is [6-(4-fluorophenyl)-5-[4-(quinolin-2-ylmethoxy)phenyl]-2-pyridinyl] acetate.
What is the SMILES notation for [6-(4-fluorophenyl)-5-[4-(quinolin-2-ylmethoxy)phenyl]-2-pyridinyl] acetate?
The canonical SMILES for [6-(4-fluorophenyl)-5-[4-(quinolin-2-ylmethoxy)phenyl]-2-pyridinyl] acetate is CC(=O)Oc1ccc(-c2ccc(OCc3ccc4ccccc4n3)cc2)c(-c2ccc(F)cc2)n1.
What is the InChIKey of [6-(4-fluorophenyl)-5-[4-(quinolin-2-ylmethoxy)phenyl]-2-pyridinyl] acetate?
The InChIKey is NMCWNZCOBPKTAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H21FN2O3/c1-19(33)35-28-17-16-26(29(32-28)22-6-11-23(30)12-7-22)20-9-14-25(15-10-20)34-18-24-13-8-21-4-2-3-5-27(21)31-24/h2-17H,18H2,1H3.
What are the key properties of [6-(4-fluorophenyl)-5-[4-(quinolin-2-ylmethoxy)phenyl]-2-pyridinyl] acetate?
[6-(4-fluorophenyl)-5-[4-(quinolin-2-ylmethoxy)phenyl]-2-pyridinyl] acetate has a molecular weight of 464.50 g/mol, XLogP of 6.61, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(4-fluorophenyl)-5-[4-(quinolin-2-ylmethoxy)phenyl]-2-pyridinyl] acetate is sourced from PubChem (CID 122196414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).