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

C25H18N6O2 — CID 170565432

IUPAC6-[5-(2-oxo-3H-1,3,4-oxadiazol-5-yl)-3-pyridinyl]-4-(2-phenylethylamino)quinoline-3-carbonitrile
SMILESN#Cc1cnc2ccc(-c3cncc(-c4n[nH]c(=O)o4)c3)cc2c1NCCc1ccccc1
InChIInChI=1S/C25H18N6O2/c26-12-20-15-29-22-7-6-17(18-10-19(14-27-13-18)24-30-31-25(32)33-24)11-21(22)23(20)28-9-8-16-4-2-1-3-5-16/h1-7,10-11,13-15H,8-9H2,(H,28,29)(H,31,32)
InChIKeyUNMZMKUBIFRQER-UHFFFAOYSA-N
MW434.46 g/mol
LogP4.17
Rot. Bonds6

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

6-[5-(2-oxo-3H-1,3,4-oxadiazol-5-yl)-3-pyridinyl]-4-(2-phenylethylamino)quinoline-3-carbonitrile (PubChem CID 170565432) has the molecular formula C25H18N6O2 and a molecular weight of 434.46 g/mol. Its IUPAC name is 6-[5-(2-oxo-3H-1,3,4-oxadiazol-5-yl)-3-pyridinyl]-4-(2-phenylethylamino)quinoline-3-carbonitrile.

Molecular Properties

Compound Name6-[5-(2-oxo-3H-1,3,4-oxadiazol-5-yl)-3-pyridinyl]-4-(2-phenylethylamino)quinoline-3-carbonitrile
PubChem CID170565432
Molecular FormulaC25H18N6O2
Molecular Weight434.46 g/mol
Exact Mass434.15
IUPAC Name6-[5-(2-oxo-3H-1,3,4-oxadiazol-5-yl)-3-pyridinyl]-4-(2-phenylethylamino)quinoline-3-carbonitrile
SMILESN#Cc1cnc2ccc(-c3cncc(-c4n[nH]c(=O)o4)c3)cc2c1NCCc1ccccc1
InChIInChI=1S/C25H18N6O2/c26-12-20-15-29-22-7-6-17(18-10-19(14-27-13-18)24-30-31-25(32)33-24)11-21(22)23(20)28-9-8-16-4-2-1-3-5-16/h1-7,10-11,13-15H,8-9H2,(H,28,29)(H,31,32)
InChIKeyUNMZMKUBIFRQER-UHFFFAOYSA-N
XLogP4.17
TPSA120.49 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.46
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[5-(2-oxo-3H-1,3,4-oxadiazol-5-yl)-3-pyridinyl]-4-(2-phenylethylamino)quinoline-3-carbonitrile?
The IUPAC name of 6-[5-(2-oxo-3H-1,3,4-oxadiazol-5-yl)-3-pyridinyl]-4-(2-phenylethylamino)quinoline-3-carbonitrile (CID 170565432) is 6-[5-(2-oxo-3H-1,3,4-oxadiazol-5-yl)-3-pyridinyl]-4-(2-phenylethylamino)quinoline-3-carbonitrile.
What is the SMILES notation for 6-[5-(2-oxo-3H-1,3,4-oxadiazol-5-yl)-3-pyridinyl]-4-(2-phenylethylamino)quinoline-3-carbonitrile?
The canonical SMILES for 6-[5-(2-oxo-3H-1,3,4-oxadiazol-5-yl)-3-pyridinyl]-4-(2-phenylethylamino)quinoline-3-carbonitrile is N#Cc1cnc2ccc(-c3cncc(-c4n[nH]c(=O)o4)c3)cc2c1NCCc1ccccc1.
What is the InChIKey of 6-[5-(2-oxo-3H-1,3,4-oxadiazol-5-yl)-3-pyridinyl]-4-(2-phenylethylamino)quinoline-3-carbonitrile?
The InChIKey is UNMZMKUBIFRQER-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18N6O2/c26-12-20-15-29-22-7-6-17(18-10-19(14-27-13-18)24-30-31-25(32)33-24)11-21(22)23(20)28-9-8-16-4-2-1-3-5-16/h1-7,10-11,13-15H,8-9H2,(H,28,29)(H,31,32).
What are the key properties of 6-[5-(2-oxo-3H-1,3,4-oxadiazol-5-yl)-3-pyridinyl]-4-(2-phenylethylamino)quinoline-3-carbonitrile?
6-[5-(2-oxo-3H-1,3,4-oxadiazol-5-yl)-3-pyridinyl]-4-(2-phenylethylamino)quinoline-3-carbonitrile has a molecular weight of 434.46 g/mol, XLogP of 4.17, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-(2-oxo-3H-1,3,4-oxadiazol-5-yl)-3-pyridinyl]-4-(2-phenylethylamino)quinoline-3-carbonitrile is sourced from PubChem (CID 170565432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).