7-[(3-fluoro-5-thiophen-2-ylphenoxy)methyl]-4-(furan-3-yl)quinoline-2-carbonitrile

C25H15FN2O2S — CID 23370164

IUPAC7-[(3-fluoro-5-thiophen-2-ylphenoxy)methyl]-4-(furan-3-yl)quinoline-2-carbonitrile
SMILESN#Cc1cc(-c2ccoc2)c2ccc(COc3cc(F)cc(-c4cccs4)c3)cc2n1
InChIInChI=1S/C25H15FN2O2S/c26-19-9-18(25-2-1-7-31-25)10-21(11-19)30-14-16-3-4-22-23(17-5-6-29-15-17)12-20(13-27)28-24(22)8-16/h1-12,15H,14H2
InChIKeyCRTSPNVHSCCKTC-UHFFFAOYSA-N
MW426.47 g/mol
LogP6.81
Rot. Bonds5

About 7-[(3-fluoro-5-thiophen-2-ylphenoxy)methyl]-4-(furan-3-yl)quinoline-2-carbonitrile

7-[(3-fluoro-5-thiophen-2-ylphenoxy)methyl]-4-(furan-3-yl)quinoline-2-carbonitrile (PubChem CID 23370164) has the molecular formula C25H15FN2O2S and a molecular weight of 426.47 g/mol. Its IUPAC name is 7-[(3-fluoro-5-thiophen-2-ylphenoxy)methyl]-4-(furan-3-yl)quinoline-2-carbonitrile.

Molecular Properties

Compound Name7-[(3-fluoro-5-thiophen-2-ylphenoxy)methyl]-4-(furan-3-yl)quinoline-2-carbonitrile
PubChem CID23370164
Molecular FormulaC25H15FN2O2S
Molecular Weight426.47 g/mol
Exact Mass426.08
IUPAC Name7-[(3-fluoro-5-thiophen-2-ylphenoxy)methyl]-4-(furan-3-yl)quinoline-2-carbonitrile
SMILESN#Cc1cc(-c2ccoc2)c2ccc(COc3cc(F)cc(-c4cccs4)c3)cc2n1
InChIInChI=1S/C25H15FN2O2S/c26-19-9-18(25-2-1-7-31-25)10-21(11-19)30-14-16-3-4-22-23(17-5-6-29-15-17)12-20(13-27)28-24(22)8-16/h1-12,15H,14H2
InChIKeyCRTSPNVHSCCKTC-UHFFFAOYSA-N
XLogP6.81
TPSA59.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.47
LogP ≤ 56.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-[(3-fluoro-5-thiophen-2-ylphenoxy)methyl]-4-(furan-3-yl)quinoline-2-carbonitrile?
The IUPAC name of 7-[(3-fluoro-5-thiophen-2-ylphenoxy)methyl]-4-(furan-3-yl)quinoline-2-carbonitrile (CID 23370164) is 7-[(3-fluoro-5-thiophen-2-ylphenoxy)methyl]-4-(furan-3-yl)quinoline-2-carbonitrile.
What is the SMILES notation for 7-[(3-fluoro-5-thiophen-2-ylphenoxy)methyl]-4-(furan-3-yl)quinoline-2-carbonitrile?
The canonical SMILES for 7-[(3-fluoro-5-thiophen-2-ylphenoxy)methyl]-4-(furan-3-yl)quinoline-2-carbonitrile is N#Cc1cc(-c2ccoc2)c2ccc(COc3cc(F)cc(-c4cccs4)c3)cc2n1.
What is the InChIKey of 7-[(3-fluoro-5-thiophen-2-ylphenoxy)methyl]-4-(furan-3-yl)quinoline-2-carbonitrile?
The InChIKey is CRTSPNVHSCCKTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H15FN2O2S/c26-19-9-18(25-2-1-7-31-25)10-21(11-19)30-14-16-3-4-22-23(17-5-6-29-15-17)12-20(13-27)28-24(22)8-16/h1-12,15H,14H2.
What are the key properties of 7-[(3-fluoro-5-thiophen-2-ylphenoxy)methyl]-4-(furan-3-yl)quinoline-2-carbonitrile?
7-[(3-fluoro-5-thiophen-2-ylphenoxy)methyl]-4-(furan-3-yl)quinoline-2-carbonitrile has a molecular weight of 426.47 g/mol, XLogP of 6.81, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(3-fluoro-5-thiophen-2-ylphenoxy)methyl]-4-(furan-3-yl)quinoline-2-carbonitrile is sourced from PubChem (CID 23370164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).