4-(quinolin-2-ylmethoxy)benzonitrile

C17H12N2O — CID 19844724

IUPAC4-(quinolin-2-ylmethoxy)benzonitrile
SMILESN#Cc1ccc(OCc2ccc3ccccc3n2)cc1
InChIInChI=1S/C17H12N2O/c18-11-13-5-9-16(10-6-13)20-12-15-8-7-14-3-1-2-4-17(14)19-15/h1-10H,12H2
InChIKeyASYQQDXJVAFQOF-UHFFFAOYSA-N
MW260.30 g/mol
LogP3.69
Rot. Bonds3

About 4-(quinolin-2-ylmethoxy)benzonitrile

4-(quinolin-2-ylmethoxy)benzonitrile (PubChem CID 19844724) has the molecular formula C17H12N2O and a molecular weight of 260.30 g/mol. Its IUPAC name is 4-(quinolin-2-ylmethoxy)benzonitrile.

Molecular Properties

Compound Name4-(quinolin-2-ylmethoxy)benzonitrile
PubChem CID19844724
Molecular FormulaC17H12N2O
Molecular Weight260.30 g/mol
Exact Mass260.09
IUPAC Name4-(quinolin-2-ylmethoxy)benzonitrile
SMILESN#Cc1ccc(OCc2ccc3ccccc3n2)cc1
InChIInChI=1S/C17H12N2O/c18-11-13-5-9-16(10-6-13)20-12-15-8-7-14-3-1-2-4-17(14)19-15/h1-10H,12H2
InChIKeyASYQQDXJVAFQOF-UHFFFAOYSA-N
XLogP3.69
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-(quinolin-2-ylmethoxy)naphthalene-2-carbonitrile
CID 23224654
2-[[4-(2-pyridin-4-ylethynyl)phenoxy]methyl]quinoline
CID 59797507
[4-(quinolin-2-ylmethoxy)phenyl]methanamine
CID 28773235
4-[2,2-dimethyl-5-oxo-4-[4-(quinolin-2-ylmethoxy)phenyl]furan-3-yl]benzonitrile
CID 44595311
4-[2-oxo-2-[3-(quinolin-2-ylmethoxy)phenyl]ethyl]benzonitrile
CID 14774171
2-[[4-[[2-(chloromethyl)phenyl]methoxy]phenoxy]methyl]quinoline
CID 14650385
N-methyl-1-[5-(quinolin-2-ylmethoxy)-2-pyridinyl]methanamine
CID 79781813
4-(quinolin-2-ylmethoxy)benzoyl chloride
CID 19762439
3-pyridin-4-yl-2-[4-(quinolin-2-ylmethoxy)phenyl]benzonitrile
CID 44600240
2-[[4-[(4-propylphenyl)methoxy]phenoxy]methyl]quinoline
CID 57057623
4-[(6-amino-2-pyridinyl)methoxy]benzonitrile
CID 79239436
4-(oxan-2-yloxy)-3-[4-(quinolin-2-ylmethoxy)phenyl]benzonitrile
CID 67026365

Frequently Asked Questions

What is the IUPAC name of 4-(quinolin-2-ylmethoxy)benzonitrile?
The IUPAC name of 4-(quinolin-2-ylmethoxy)benzonitrile (CID 19844724) is 4-(quinolin-2-ylmethoxy)benzonitrile.
What is the SMILES notation for 4-(quinolin-2-ylmethoxy)benzonitrile?
The canonical SMILES for 4-(quinolin-2-ylmethoxy)benzonitrile is N#Cc1ccc(OCc2ccc3ccccc3n2)cc1.
What is the InChIKey of 4-(quinolin-2-ylmethoxy)benzonitrile?
The InChIKey is ASYQQDXJVAFQOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N2O/c18-11-13-5-9-16(10-6-13)20-12-15-8-7-14-3-1-2-4-17(14)19-15/h1-10H,12H2.
What are the key properties of 4-(quinolin-2-ylmethoxy)benzonitrile?
4-(quinolin-2-ylmethoxy)benzonitrile has a molecular weight of 260.30 g/mol, XLogP of 3.69, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(quinolin-2-ylmethoxy)benzonitrile is sourced from PubChem (CID 19844724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).