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

C26H19N5O2 — CID 164556498

IUPAC6-[3-(2-oxo-3H-1,3,4-oxadiazol-5-yl)phenyl]-4-(1-phenylethylamino)quinoline-3-carbonitrile
SMILESCC(Nc1c(C#N)cnc2ccc(-c3cccc(-c4n[nH]c(=O)o4)c3)cc12)c1ccccc1
InChIInChI=1S/C26H19N5O2/c1-16(17-6-3-2-4-7-17)29-24-21(14-27)15-28-23-11-10-19(13-22(23)24)18-8-5-9-20(12-18)25-30-31-26(32)33-25/h2-13,15-16H,1H3,(H,28,29)(H,31,32)
InChIKeyOVRCHGXDBNJYDF-UHFFFAOYSA-N
MW433.47 g/mol
LogP5.29
Rot. Bonds5

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

6-[3-(2-oxo-3H-1,3,4-oxadiazol-5-yl)phenyl]-4-(1-phenylethylamino)quinoline-3-carbonitrile (PubChem CID 164556498) 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-(1-phenylethylamino)quinoline-3-carbonitrile.

Molecular Properties

Compound Name6-[3-(2-oxo-3H-1,3,4-oxadiazol-5-yl)phenyl]-4-(1-phenylethylamino)quinoline-3-carbonitrile
PubChem CID164556498
Molecular FormulaC26H19N5O2
Molecular Weight433.47 g/mol
Exact Mass433.15
IUPAC Name6-[3-(2-oxo-3H-1,3,4-oxadiazol-5-yl)phenyl]-4-(1-phenylethylamino)quinoline-3-carbonitrile
SMILESCC(Nc1c(C#N)cnc2ccc(-c3cccc(-c4n[nH]c(=O)o4)c3)cc12)c1ccccc1
InChIInChI=1S/C26H19N5O2/c1-16(17-6-3-2-4-7-17)29-24-21(14-27)15-28-23-11-10-19(13-22(23)24)18-8-5-9-20(12-18)25-30-31-26(32)33-25/h2-13,15-16H,1H3,(H,28,29)(H,31,32)
InChIKeyOVRCHGXDBNJYDF-UHFFFAOYSA-N
XLogP5.29
TPSA107.60 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.47
LogP ≤ 55.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

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Related Compounds

8-Quinolinylmethyl mesitylcarbamate
CID 30195361
6-(5-(5-Oxo-4,5-dihydro-1,3,4-oxadiazol-2-yl)pyridin-3-yl)-4-((1-phenylethyl)amino)quinoline-3-carbonitrile
CID 164556495
Benzyl (6-(trifluoromethyl)quinolin-4-yl)carbamate
CID 58562610
[2-[4-(4-Aminopiperidin-1-yl)-3-(3,5-difluorophenyl)quinolin-6-yl]-6-cyanophenyl]methyl hydrogen carbonate
CID 152324917
[2-[4-(4-Aminopiperidin-1-yl)-3-(3-fluoro-5-methylphenyl)quinolin-6-yl]-6-cyano-3,4-difluorophenyl] carbamate
CID 177911342
benzyl N-[(1S,2S)-6,7-dimethyl-2-(quinolin-8-ylmethyl)-1,2-dihydronaphthalen-1-yl]carbamate
CID 162398496
benzyl N-[(E)-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]methylideneamino]carbamate
CID 58882809
N'-[3-(2-Dimethylamino-ethyl)-1H-indol-5-ylmethylene]-hydrazinecarboxylic acid benzyl ester
CID 68470517
Benzyl 3-vinylquinolin-7-ylcarbamate
CID 68703364
[4-(5-Cyano-3-phenyl-1,6-naphthyridin-2-yl)phenyl]methyl carbamate
CID 68751779
[4-(5-cyano-3-phenyl-1,6-naphthyridin-2-yl)phenyl]methyl N-tert-butylcarbamate
CID 90802902
5-[5-[4-(3-chloroanilino)quinolin-6-yl]-3-pyridinyl]-3H-1,3,4-oxadiazol-2-one
CID 132243880

Frequently Asked Questions

What is the IUPAC name of 6-[3-(2-oxo-3H-1,3,4-oxadiazol-5-yl)phenyl]-4-(1-phenylethylamino)quinoline-3-carbonitrile?
The IUPAC name of 6-[3-(2-oxo-3H-1,3,4-oxadiazol-5-yl)phenyl]-4-(1-phenylethylamino)quinoline-3-carbonitrile (CID 164556498) is 6-[3-(2-oxo-3H-1,3,4-oxadiazol-5-yl)phenyl]-4-(1-phenylethylamino)quinoline-3-carbonitrile.
What is the SMILES notation for 6-[3-(2-oxo-3H-1,3,4-oxadiazol-5-yl)phenyl]-4-(1-phenylethylamino)quinoline-3-carbonitrile?
The canonical SMILES for 6-[3-(2-oxo-3H-1,3,4-oxadiazol-5-yl)phenyl]-4-(1-phenylethylamino)quinoline-3-carbonitrile is CC(Nc1c(C#N)cnc2ccc(-c3cccc(-c4n[nH]c(=O)o4)c3)cc12)c1ccccc1.
What is the InChIKey of 6-[3-(2-oxo-3H-1,3,4-oxadiazol-5-yl)phenyl]-4-(1-phenylethylamino)quinoline-3-carbonitrile?
The InChIKey is OVRCHGXDBNJYDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19N5O2/c1-16(17-6-3-2-4-7-17)29-24-21(14-27)15-28-23-11-10-19(13-22(23)24)18-8-5-9-20(12-18)25-30-31-26(32)33-25/h2-13,15-16H,1H3,(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-(1-phenylethylamino)quinoline-3-carbonitrile?
6-[3-(2-oxo-3H-1,3,4-oxadiazol-5-yl)phenyl]-4-(1-phenylethylamino)quinoline-3-carbonitrile has a molecular weight of 433.47 g/mol, XLogP of 5.29, 5 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-(1-phenylethylamino)quinoline-3-carbonitrile is sourced from PubChem (CID 164556498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).