4-phenyl-7-[[(5-propanoyl-1,3,4-oxadiazol-2-yl)amino]methyl]quinoline-2-carbonitrile

C22H17N5O2 — CID 16665544

IUPAC4-phenyl-7-[[(5-propanoyl-1,3,4-oxadiazol-2-yl)amino]methyl]quinoline-2-carbonitrile
SMILESCCC(=O)c1nnc(NCc2ccc3c(-c4ccccc4)cc(C#N)nc3c2)o1
InChIInChI=1S/C22H17N5O2/c1-2-20(28)21-26-27-22(29-21)24-13-14-8-9-17-18(15-6-4-3-5-7-15)11-16(12-23)25-19(17)10-14/h3-11H,2,13H2,1H3,(H,24,27)
InChIKeyRFUJYMCFBYBJLA-UHFFFAOYSA-N
MW383.41 g/mol
LogP4.36
Rot. Bonds6

About 4-phenyl-7-[[(5-propanoyl-1,3,4-oxadiazol-2-yl)amino]methyl]quinoline-2-carbonitrile

4-phenyl-7-[[(5-propanoyl-1,3,4-oxadiazol-2-yl)amino]methyl]quinoline-2-carbonitrile (PubChem CID 16665544) has the molecular formula C22H17N5O2 and a molecular weight of 383.41 g/mol. Its IUPAC name is 4-phenyl-7-[[(5-propanoyl-1,3,4-oxadiazol-2-yl)amino]methyl]quinoline-2-carbonitrile.

Molecular Properties

Compound Name4-phenyl-7-[[(5-propanoyl-1,3,4-oxadiazol-2-yl)amino]methyl]quinoline-2-carbonitrile
PubChem CID16665544
Molecular FormulaC22H17N5O2
Molecular Weight383.41 g/mol
Exact Mass383.14
IUPAC Name4-phenyl-7-[[(5-propanoyl-1,3,4-oxadiazol-2-yl)amino]methyl]quinoline-2-carbonitrile
SMILESCCC(=O)c1nnc(NCc2ccc3c(-c4ccccc4)cc(C#N)nc3c2)o1
InChIInChI=1S/C22H17N5O2/c1-2-20(28)21-26-27-22(29-21)24-13-14-8-9-17-18(15-6-4-3-5-7-15)11-16(12-23)25-19(17)10-14/h3-11H,2,13H2,1H3,(H,24,27)
InChIKeyRFUJYMCFBYBJLA-UHFFFAOYSA-N
XLogP4.36
TPSA104.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.41
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-phenyl-7-[[(5-propanoyl-1,3,4-oxadiazol-2-yl)amino]methyl]quinoline-2-carbonitrile?
The IUPAC name of 4-phenyl-7-[[(5-propanoyl-1,3,4-oxadiazol-2-yl)amino]methyl]quinoline-2-carbonitrile (CID 16665544) is 4-phenyl-7-[[(5-propanoyl-1,3,4-oxadiazol-2-yl)amino]methyl]quinoline-2-carbonitrile.
What is the SMILES notation for 4-phenyl-7-[[(5-propanoyl-1,3,4-oxadiazol-2-yl)amino]methyl]quinoline-2-carbonitrile?
The canonical SMILES for 4-phenyl-7-[[(5-propanoyl-1,3,4-oxadiazol-2-yl)amino]methyl]quinoline-2-carbonitrile is CCC(=O)c1nnc(NCc2ccc3c(-c4ccccc4)cc(C#N)nc3c2)o1.
What is the InChIKey of 4-phenyl-7-[[(5-propanoyl-1,3,4-oxadiazol-2-yl)amino]methyl]quinoline-2-carbonitrile?
The InChIKey is RFUJYMCFBYBJLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N5O2/c1-2-20(28)21-26-27-22(29-21)24-13-14-8-9-17-18(15-6-4-3-5-7-15)11-16(12-23)25-19(17)10-14/h3-11H,2,13H2,1H3,(H,24,27).
What are the key properties of 4-phenyl-7-[[(5-propanoyl-1,3,4-oxadiazol-2-yl)amino]methyl]quinoline-2-carbonitrile?
4-phenyl-7-[[(5-propanoyl-1,3,4-oxadiazol-2-yl)amino]methyl]quinoline-2-carbonitrile has a molecular weight of 383.41 g/mol, XLogP of 4.36, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-7-[[(5-propanoyl-1,3,4-oxadiazol-2-yl)amino]methyl]quinoline-2-carbonitrile is sourced from PubChem (CID 16665544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).