6-[3-(2-oxo-3H-1,3,4-oxadiazol-5-yl)phenyl]-4-(2-phenylethylamino)quinoline-3-carbonitrile

C26H19N5O2 — CID 170565417

IUPAC6-[3-(2-oxo-3H-1,3,4-oxadiazol-5-yl)phenyl]-4-(2-phenylethylamino)quinoline-3-carbonitrile
SMILESN#Cc1cnc2ccc(-c3cccc(-c4n[nH]c(=O)o4)c3)cc2c1NCCc1ccccc1
InChIInChI=1S/C26H19N5O2/c27-15-21-16-29-23-10-9-19(18-7-4-8-20(13-18)25-30-31-26(32)33-25)14-22(23)24(21)28-12-11-17-5-2-1-3-6-17/h1-10,13-14,16H,11-12H2,(H,28,29)(H,31,32)
InChIKeyWCOXZHHLUGCGTD-UHFFFAOYSA-N
MW433.47 g/mol
LogP4.77
Rot. Bonds6

About 6-[3-(2-oxo-3H-1,3,4-oxadiazol-5-yl)phenyl]-4-(2-phenylethylamino)quinoline-3-carbonitrile

6-[3-(2-oxo-3H-1,3,4-oxadiazol-5-yl)phenyl]-4-(2-phenylethylamino)quinoline-3-carbonitrile (PubChem CID 170565417) has the molecular formula C26H19N5O2 and a molecular weight of 433.47 g/mol. Its IUPAC name is 6-[3-(2-oxo-3H-1,3,4-oxadiazol-5-yl)phenyl]-4-(2-phenylethylamino)quinoline-3-carbonitrile.

Molecular Properties

Compound Name6-[3-(2-oxo-3H-1,3,4-oxadiazol-5-yl)phenyl]-4-(2-phenylethylamino)quinoline-3-carbonitrile
PubChem CID170565417
Molecular FormulaC26H19N5O2
Molecular Weight433.47 g/mol
Exact Mass433.15
IUPAC Name6-[3-(2-oxo-3H-1,3,4-oxadiazol-5-yl)phenyl]-4-(2-phenylethylamino)quinoline-3-carbonitrile
SMILESN#Cc1cnc2ccc(-c3cccc(-c4n[nH]c(=O)o4)c3)cc2c1NCCc1ccccc1
InChIInChI=1S/C26H19N5O2/c27-15-21-16-29-23-10-9-19(18-7-4-8-20(13-18)25-30-31-26(32)33-25)14-22(23)24(21)28-12-11-17-5-2-1-3-6-17/h1-10,13-14,16H,11-12H2,(H,28,29)(H,31,32)
InChIKeyWCOXZHHLUGCGTD-UHFFFAOYSA-N
XLogP4.77
TPSA107.60 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.47
LogP ≤ 54.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[3-(2-oxo-3H-1,3,4-oxadiazol-5-yl)phenyl]-4-(2-phenylethylamino)quinoline-3-carbonitrile?
The IUPAC name of 6-[3-(2-oxo-3H-1,3,4-oxadiazol-5-yl)phenyl]-4-(2-phenylethylamino)quinoline-3-carbonitrile (CID 170565417) is 6-[3-(2-oxo-3H-1,3,4-oxadiazol-5-yl)phenyl]-4-(2-phenylethylamino)quinoline-3-carbonitrile.
What is the SMILES notation for 6-[3-(2-oxo-3H-1,3,4-oxadiazol-5-yl)phenyl]-4-(2-phenylethylamino)quinoline-3-carbonitrile?
The canonical SMILES for 6-[3-(2-oxo-3H-1,3,4-oxadiazol-5-yl)phenyl]-4-(2-phenylethylamino)quinoline-3-carbonitrile is N#Cc1cnc2ccc(-c3cccc(-c4n[nH]c(=O)o4)c3)cc2c1NCCc1ccccc1.
What is the InChIKey of 6-[3-(2-oxo-3H-1,3,4-oxadiazol-5-yl)phenyl]-4-(2-phenylethylamino)quinoline-3-carbonitrile?
The InChIKey is WCOXZHHLUGCGTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19N5O2/c27-15-21-16-29-23-10-9-19(18-7-4-8-20(13-18)25-30-31-26(32)33-25)14-22(23)24(21)28-12-11-17-5-2-1-3-6-17/h1-10,13-14,16H,11-12H2,(H,28,29)(H,31,32).
What are the key properties of 6-[3-(2-oxo-3H-1,3,4-oxadiazol-5-yl)phenyl]-4-(2-phenylethylamino)quinoline-3-carbonitrile?
6-[3-(2-oxo-3H-1,3,4-oxadiazol-5-yl)phenyl]-4-(2-phenylethylamino)quinoline-3-carbonitrile has a molecular weight of 433.47 g/mol, XLogP of 4.77, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(2-oxo-3H-1,3,4-oxadiazol-5-yl)phenyl]-4-(2-phenylethylamino)quinoline-3-carbonitrile is sourced from PubChem (CID 170565417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).