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

C27H17FN2O2 — CID 23370223

IUPAC7-[(3-fluoro-5-phenylphenoxy)methyl]-4-(furan-3-yl)quinoline-2-carbonitrile
SMILESN#Cc1cc(-c2ccoc2)c2ccc(COc3cc(F)cc(-c4ccccc4)c3)cc2n1
InChIInChI=1S/C27H17FN2O2/c28-22-11-21(19-4-2-1-3-5-19)12-24(13-22)32-16-18-6-7-25-26(20-8-9-31-17-20)14-23(15-29)30-27(25)10-18/h1-14,17H,16H2
InChIKeyWWMPBTNMKIZTOI-UHFFFAOYSA-N
MW420.44 g/mol
LogP6.75
Rot. Bonds5

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

7-[(3-fluoro-5-phenylphenoxy)methyl]-4-(furan-3-yl)quinoline-2-carbonitrile (PubChem CID 23370223) has the molecular formula C27H17FN2O2 and a molecular weight of 420.44 g/mol. Its IUPAC name is 7-[(3-fluoro-5-phenylphenoxy)methyl]-4-(furan-3-yl)quinoline-2-carbonitrile.

Molecular Properties

Compound Name7-[(3-fluoro-5-phenylphenoxy)methyl]-4-(furan-3-yl)quinoline-2-carbonitrile
PubChem CID23370223
Molecular FormulaC27H17FN2O2
Molecular Weight420.44 g/mol
Exact Mass420.13
IUPAC Name7-[(3-fluoro-5-phenylphenoxy)methyl]-4-(furan-3-yl)quinoline-2-carbonitrile
SMILESN#Cc1cc(-c2ccoc2)c2ccc(COc3cc(F)cc(-c4ccccc4)c3)cc2n1
InChIInChI=1S/C27H17FN2O2/c28-22-11-21(19-4-2-1-3-5-19)12-24(13-22)32-16-18-6-7-25-26(20-8-9-31-17-20)14-23(15-29)30-27(25)10-18/h1-14,17H,16H2
InChIKeyWWMPBTNMKIZTOI-UHFFFAOYSA-N
XLogP6.75
TPSA59.05 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.44
LogP ≤ 56.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

7-[[3-fluoro-5-(1,1,1,3,3,3-hexafluoro-2-methoxypropan-2-yl)phenoxy]methyl]-4-(furan-3-yl)quinoline-2-carbonitrile
CID 19427019
4-(furan-3-yl)-7-[[3-(4-hydroxyoxan-4-yl)phenyl]methoxy]naphthalene-2-carbonitrile
CID 42609834
4-methyl-6-phenylmethoxyquinoline-2-carbonitrile
CID 82573287
4-[[3-cyano-4-(furan-3-yl)-6-(3-methoxyphenyl)-2-pyridinyl]oxymethyl]benzoic acid
CID 57490641
6-methyl-4-phenylmethoxypyridine-2-carbonitrile
CID 130671911
4-(furan-3-yl)-7-[[5-(4-hydroxyoxan-4-yl)-3-pyridinyl]methoxy]naphthalene-2-carbonitrile
CID 10646090
7-[[4-(1-hydroxycyclopentyl)triazol-1-yl]methyl]-4-phenylquinoline-2-carbonitrile
CID 25057928
7-[[[5-(3-hydroxypentan-3-yl)-1,3,4-oxadiazol-2-yl]amino]methyl]-4-phenylquinoline-2-carbonitrile
CID 16665692
4-[(4-phenylphenoxy)methyl]benzonitrile
CID 7919523
3-[(3,5-difluorophenoxy)methyl]benzonitrile
CID 62784850
7-[[[5-(1-hydroxypentyl)-1,3,4-oxadiazol-2-yl]amino]methyl]-4-phenylquinoline-2-carbonitrile
CID 90825991
3-fluoro-5-(4-phenylmethoxyphenyl)phenol
CID 53219757

Frequently Asked Questions

What is the IUPAC name of 7-[(3-fluoro-5-phenylphenoxy)methyl]-4-(furan-3-yl)quinoline-2-carbonitrile?
The IUPAC name of 7-[(3-fluoro-5-phenylphenoxy)methyl]-4-(furan-3-yl)quinoline-2-carbonitrile (CID 23370223) is 7-[(3-fluoro-5-phenylphenoxy)methyl]-4-(furan-3-yl)quinoline-2-carbonitrile.
What is the SMILES notation for 7-[(3-fluoro-5-phenylphenoxy)methyl]-4-(furan-3-yl)quinoline-2-carbonitrile?
The canonical SMILES for 7-[(3-fluoro-5-phenylphenoxy)methyl]-4-(furan-3-yl)quinoline-2-carbonitrile is N#Cc1cc(-c2ccoc2)c2ccc(COc3cc(F)cc(-c4ccccc4)c3)cc2n1.
What is the InChIKey of 7-[(3-fluoro-5-phenylphenoxy)methyl]-4-(furan-3-yl)quinoline-2-carbonitrile?
The InChIKey is WWMPBTNMKIZTOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H17FN2O2/c28-22-11-21(19-4-2-1-3-5-19)12-24(13-22)32-16-18-6-7-25-26(20-8-9-31-17-20)14-23(15-29)30-27(25)10-18/h1-14,17H,16H2.
What are the key properties of 7-[(3-fluoro-5-phenylphenoxy)methyl]-4-(furan-3-yl)quinoline-2-carbonitrile?
7-[(3-fluoro-5-phenylphenoxy)methyl]-4-(furan-3-yl)quinoline-2-carbonitrile has a molecular weight of 420.44 g/mol, XLogP of 6.75, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(3-fluoro-5-phenylphenoxy)methyl]-4-(furan-3-yl)quinoline-2-carbonitrile is sourced from PubChem (CID 23370223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).