3-chloro-4-(quinolin-4-ylmethoxy)benzonitrile

C17H11ClN2O — CID 79230623

IUPAC3-chloro-4-(quinolin-4-ylmethoxy)benzonitrile
SMILESN#Cc1ccc(OCc2ccnc3ccccc23)c(Cl)c1
InChIInChI=1S/C17H11ClN2O/c18-15-9-12(10-19)5-6-17(15)21-11-13-7-8-20-16-4-2-1-3-14(13)16/h1-9H,11H2
InChIKeyAICKFKUVVDFACZ-UHFFFAOYSA-N
MW294.74 g/mol
LogP4.34
Rot. Bonds3

About 3-chloro-4-(quinolin-4-ylmethoxy)benzonitrile

3-chloro-4-(quinolin-4-ylmethoxy)benzonitrile (PubChem CID 79230623) has the molecular formula C17H11ClN2O and a molecular weight of 294.74 g/mol. Its IUPAC name is 3-chloro-4-(quinolin-4-ylmethoxy)benzonitrile.

Molecular Properties

Compound Name3-chloro-4-(quinolin-4-ylmethoxy)benzonitrile
PubChem CID79230623
Molecular FormulaC17H11ClN2O
Molecular Weight294.74 g/mol
Exact Mass294.06
IUPAC Name3-chloro-4-(quinolin-4-ylmethoxy)benzonitrile
SMILESN#Cc1ccc(OCc2ccnc3ccccc23)c(Cl)c1
InChIInChI=1S/C17H11ClN2O/c18-15-9-12(10-19)5-6-17(15)21-11-13-7-8-20-16-4-2-1-3-14(13)16/h1-9H,11H2
InChIKeyAICKFKUVVDFACZ-UHFFFAOYSA-N
XLogP4.34
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.74
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(2-chlorophenoxy)methyl]quinoline
CID 79241295
3-chloro-4-[(2-cyanophenyl)methoxy]benzonitrile
CID 8977260
3-chloro-4-quinolin-5-yloxybenzonitrile
CID 103044737
4-[(2-chloro-4-cyanophenoxy)methyl]pyridine-2-carbonitrile
CID 63882145
3-chloro-4-(naphthalen-1-yloxymethyl)benzonitrile
CID 102665796
3-bromo-4-[(2-chlorophenyl)methoxy]benzonitrile
CID 20987819
3-chloro-4-[(2,3-difluorophenyl)methoxy]benzonitrile
CID 60695071
4-[(4-bromo-2-chlorophenoxy)methyl]-3-chlorobenzonitrile
CID 102665843
3,5-dichloro-4-(quinolin-4-ylmethoxy)aniline
CID 79234359
[3-bromo-4-(quinolin-4-ylmethoxy)phenyl]methanol
CID 79231186
3-chloro-4-[(2-chloro-4-formylphenoxy)methyl]benzonitrile
CID 102666727
3-chloro-4-(phenoxymethyl)benzonitrile
CID 102665790

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-(quinolin-4-ylmethoxy)benzonitrile?
The IUPAC name of 3-chloro-4-(quinolin-4-ylmethoxy)benzonitrile (CID 79230623) is 3-chloro-4-(quinolin-4-ylmethoxy)benzonitrile.
What is the SMILES notation for 3-chloro-4-(quinolin-4-ylmethoxy)benzonitrile?
The canonical SMILES for 3-chloro-4-(quinolin-4-ylmethoxy)benzonitrile is N#Cc1ccc(OCc2ccnc3ccccc23)c(Cl)c1.
What is the InChIKey of 3-chloro-4-(quinolin-4-ylmethoxy)benzonitrile?
The InChIKey is AICKFKUVVDFACZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11ClN2O/c18-15-9-12(10-19)5-6-17(15)21-11-13-7-8-20-16-4-2-1-3-14(13)16/h1-9H,11H2.
What are the key properties of 3-chloro-4-(quinolin-4-ylmethoxy)benzonitrile?
3-chloro-4-(quinolin-4-ylmethoxy)benzonitrile has a molecular weight of 294.74 g/mol, XLogP of 4.34, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-(quinolin-4-ylmethoxy)benzonitrile is sourced from PubChem (CID 79230623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).