4-(2-quinolin-6-yloxyethoxy)benzonitrile

C18H14N2O2 — CID 56799582

IUPAC4-(2-quinolin-6-yloxyethoxy)benzonitrile
SMILESN#Cc1ccc(OCCOc2ccc3ncccc3c2)cc1
InChIInChI=1S/C18H14N2O2/c19-13-14-3-5-16(6-4-14)21-10-11-22-17-7-8-18-15(12-17)2-1-9-20-18/h1-9,12H,10-11H2
InChIKeyKYOHVRLCVDEVKB-UHFFFAOYSA-N
MW290.32 g/mol
LogP3.56
Rot. Bonds5

About 4-(2-quinolin-6-yloxyethoxy)benzonitrile

4-(2-quinolin-6-yloxyethoxy)benzonitrile (PubChem CID 56799582) has the molecular formula C18H14N2O2 and a molecular weight of 290.32 g/mol. Its IUPAC name is 4-(2-quinolin-6-yloxyethoxy)benzonitrile.

Molecular Properties

Compound Name4-(2-quinolin-6-yloxyethoxy)benzonitrile
PubChem CID56799582
Molecular FormulaC18H14N2O2
Molecular Weight290.32 g/mol
Exact Mass290.11
IUPAC Name4-(2-quinolin-6-yloxyethoxy)benzonitrile
SMILESN#Cc1ccc(OCCOc2ccc3ncccc3c2)cc1
InChIInChI=1S/C18H14N2O2/c19-13-14-3-5-16(6-4-14)21-10-11-22-17-7-8-18-15(12-17)2-1-9-20-18/h1-9,12H,10-11H2
InChIKeyKYOHVRLCVDEVKB-UHFFFAOYSA-N
XLogP3.56
TPSA55.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(2-quinolin-6-yloxyethoxy)benzonitrile?
The IUPAC name of 4-(2-quinolin-6-yloxyethoxy)benzonitrile (CID 56799582) is 4-(2-quinolin-6-yloxyethoxy)benzonitrile.
What is the SMILES notation for 4-(2-quinolin-6-yloxyethoxy)benzonitrile?
The canonical SMILES for 4-(2-quinolin-6-yloxyethoxy)benzonitrile is N#Cc1ccc(OCCOc2ccc3ncccc3c2)cc1.
What is the InChIKey of 4-(2-quinolin-6-yloxyethoxy)benzonitrile?
The InChIKey is KYOHVRLCVDEVKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2O2/c19-13-14-3-5-16(6-4-14)21-10-11-22-17-7-8-18-15(12-17)2-1-9-20-18/h1-9,12H,10-11H2.
What are the key properties of 4-(2-quinolin-6-yloxyethoxy)benzonitrile?
4-(2-quinolin-6-yloxyethoxy)benzonitrile has a molecular weight of 290.32 g/mol, XLogP of 3.56, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-quinolin-6-yloxyethoxy)benzonitrile is sourced from PubChem (CID 56799582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).