2-[(5-chloro-3-pyridinyl)oxy]quinoline-4-carbonitrile

C15H8ClN3O — CID 64602724

IUPAC2-[(5-chloro-3-pyridinyl)oxy]quinoline-4-carbonitrile
SMILESN#Cc1cc(Oc2cncc(Cl)c2)nc2ccccc12
InChIInChI=1S/C15H8ClN3O/c16-11-6-12(9-18-8-11)20-15-5-10(7-17)13-3-1-2-4-14(13)19-15/h1-6,8-9H
InChIKeyUCRRNSBYPGYXKL-UHFFFAOYSA-N
MW281.70 g/mol
LogP3.95
Rot. Bonds2

About 2-[(5-chloro-3-pyridinyl)oxy]quinoline-4-carbonitrile

2-[(5-chloro-3-pyridinyl)oxy]quinoline-4-carbonitrile (PubChem CID 64602724) has the molecular formula C15H8ClN3O and a molecular weight of 281.70 g/mol. Its IUPAC name is 2-[(5-chloro-3-pyridinyl)oxy]quinoline-4-carbonitrile.

Molecular Properties

Compound Name2-[(5-chloro-3-pyridinyl)oxy]quinoline-4-carbonitrile
PubChem CID64602724
Molecular FormulaC15H8ClN3O
Molecular Weight281.70 g/mol
Exact Mass281.04
IUPAC Name2-[(5-chloro-3-pyridinyl)oxy]quinoline-4-carbonitrile
SMILESN#Cc1cc(Oc2cncc(Cl)c2)nc2ccccc12
InChIInChI=1S/C15H8ClN3O/c16-11-6-12(9-18-8-11)20-15-5-10(7-17)13-3-1-2-4-14(13)19-15/h1-6,8-9H
InChIKeyUCRRNSBYPGYXKL-UHFFFAOYSA-N
XLogP3.95
TPSA58.80 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.70
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-chloro-3-pyridinyl)oxy]quinoline-4-carbonitrile?
The IUPAC name of 2-[(5-chloro-3-pyridinyl)oxy]quinoline-4-carbonitrile (CID 64602724) is 2-[(5-chloro-3-pyridinyl)oxy]quinoline-4-carbonitrile.
What is the SMILES notation for 2-[(5-chloro-3-pyridinyl)oxy]quinoline-4-carbonitrile?
The canonical SMILES for 2-[(5-chloro-3-pyridinyl)oxy]quinoline-4-carbonitrile is N#Cc1cc(Oc2cncc(Cl)c2)nc2ccccc12.
What is the InChIKey of 2-[(5-chloro-3-pyridinyl)oxy]quinoline-4-carbonitrile?
The InChIKey is UCRRNSBYPGYXKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8ClN3O/c16-11-6-12(9-18-8-11)20-15-5-10(7-17)13-3-1-2-4-14(13)19-15/h1-6,8-9H.
What are the key properties of 2-[(5-chloro-3-pyridinyl)oxy]quinoline-4-carbonitrile?
2-[(5-chloro-3-pyridinyl)oxy]quinoline-4-carbonitrile has a molecular weight of 281.70 g/mol, XLogP of 3.95, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chloro-3-pyridinyl)oxy]quinoline-4-carbonitrile is sourced from PubChem (CID 64602724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).