2-(2-methylquinolin-8-yl)oxypyridine-4-carbonitrile

C16H11N3O — CID 43352179

IUPAC2-(2-methylquinolin-8-yl)oxypyridine-4-carbonitrile
SMILESCc1ccc2cccc(Oc3cc(C#N)ccn3)c2n1
InChIInChI=1S/C16H11N3O/c1-11-5-6-13-3-2-4-14(16(13)19-11)20-15-9-12(10-17)7-8-18-15/h2-9H,1H3
InChIKeyZECKQFSPNCZQGB-UHFFFAOYSA-N
MW261.28 g/mol
LogP3.60
Rot. Bonds2

About 2-(2-methylquinolin-8-yl)oxypyridine-4-carbonitrile

2-(2-methylquinolin-8-yl)oxypyridine-4-carbonitrile (PubChem CID 43352179) has the molecular formula C16H11N3O and a molecular weight of 261.28 g/mol. Its IUPAC name is 2-(2-methylquinolin-8-yl)oxypyridine-4-carbonitrile.

Molecular Properties

Compound Name2-(2-methylquinolin-8-yl)oxypyridine-4-carbonitrile
PubChem CID43352179
Molecular FormulaC16H11N3O
Molecular Weight261.28 g/mol
Exact Mass261.09
IUPAC Name2-(2-methylquinolin-8-yl)oxypyridine-4-carbonitrile
SMILESCc1ccc2cccc(Oc3cc(C#N)ccn3)c2n1
InChIInChI=1S/C16H11N3O/c1-11-5-6-13-3-2-4-14(16(13)19-11)20-15-9-12(10-17)7-8-18-15/h2-9H,1H3
InChIKeyZECKQFSPNCZQGB-UHFFFAOYSA-N
XLogP3.60
TPSA58.80 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylquinolin-8-yl)oxypyridine-4-carbonitrile?
The IUPAC name of 2-(2-methylquinolin-8-yl)oxypyridine-4-carbonitrile (CID 43352179) is 2-(2-methylquinolin-8-yl)oxypyridine-4-carbonitrile.
What is the SMILES notation for 2-(2-methylquinolin-8-yl)oxypyridine-4-carbonitrile?
The canonical SMILES for 2-(2-methylquinolin-8-yl)oxypyridine-4-carbonitrile is Cc1ccc2cccc(Oc3cc(C#N)ccn3)c2n1.
What is the InChIKey of 2-(2-methylquinolin-8-yl)oxypyridine-4-carbonitrile?
The InChIKey is ZECKQFSPNCZQGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11N3O/c1-11-5-6-13-3-2-4-14(16(13)19-11)20-15-9-12(10-17)7-8-18-15/h2-9H,1H3.
What are the key properties of 2-(2-methylquinolin-8-yl)oxypyridine-4-carbonitrile?
2-(2-methylquinolin-8-yl)oxypyridine-4-carbonitrile has a molecular weight of 261.28 g/mol, XLogP of 3.60, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylquinolin-8-yl)oxypyridine-4-carbonitrile is sourced from PubChem (CID 43352179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).