2-[(2-methylquinolin-4-yl)methoxy]benzonitrile

C18H14N2O — CID 78961975

IUPAC2-[(2-methylquinolin-4-yl)methoxy]benzonitrile
SMILESCc1cc(COc2ccccc2C#N)c2ccccc2n1
InChIInChI=1S/C18H14N2O/c1-13-10-15(16-7-3-4-8-17(16)20-13)12-21-18-9-5-2-6-14(18)11-19/h2-10H,12H2,1H3
InChIKeyAAIMRDWMOAZSCH-UHFFFAOYSA-N
MW274.32 g/mol
LogP3.99
Rot. Bonds3

About 2-[(2-methylquinolin-4-yl)methoxy]benzonitrile

2-[(2-methylquinolin-4-yl)methoxy]benzonitrile (PubChem CID 78961975) has the molecular formula C18H14N2O and a molecular weight of 274.32 g/mol. Its IUPAC name is 2-[(2-methylquinolin-4-yl)methoxy]benzonitrile.

Molecular Properties

Compound Name2-[(2-methylquinolin-4-yl)methoxy]benzonitrile
PubChem CID78961975
Molecular FormulaC18H14N2O
Molecular Weight274.32 g/mol
Exact Mass274.11
IUPAC Name2-[(2-methylquinolin-4-yl)methoxy]benzonitrile
SMILESCc1cc(COc2ccccc2C#N)c2ccccc2n1
InChIInChI=1S/C18H14N2O/c1-13-10-15(16-7-3-4-8-17(16)20-13)12-21-18-9-5-2-6-14(18)11-19/h2-10H,12H2,1H3
InChIKeyAAIMRDWMOAZSCH-UHFFFAOYSA-N
XLogP3.99
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[2-(chloromethyl)phenoxy]methyl]-2-methylquinoline
CID 79231433
[2-[(2-methylquinolin-4-yl)methoxy]phenyl]methanamine
CID 79234339
4-[(5-bromo-2-methylphenoxy)methyl]-2-methylquinoline
CID 107284170
4-[(2,4-dimethylphenoxy)methyl]-2-methylquinoline
CID 79232555
2-[[2-[2-(2-methylphenyl)ethynyl]phenyl]methoxy]benzonitrile
CID 122386147
4-[(2-methylquinolin-4-yl)methoxy]benzoic acid
CID 22032775
[4-[(2-methylquinolin-4-yl)methoxy]phenyl]methanamine
CID 22148915
2-phenylmethoxybenzonitrile;propane
CID 142369146
2-(1,3-benzothiazol-2-ylmethoxy)benzonitrile
CID 2714599
2-[(5-methyl-1,2,4-thiadiazol-3-yl)methoxy]benzonitrile
CID 59957028
2-[3-(4,6-dimethylpyrimidin-2-yl)sulfanylpropoxy]benzonitrile
CID 62305822
3-fluoro-2-[(2-methylquinolin-4-yl)methoxy]aniline
CID 104831438

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methylquinolin-4-yl)methoxy]benzonitrile?
The IUPAC name of 2-[(2-methylquinolin-4-yl)methoxy]benzonitrile (CID 78961975) is 2-[(2-methylquinolin-4-yl)methoxy]benzonitrile.
What is the SMILES notation for 2-[(2-methylquinolin-4-yl)methoxy]benzonitrile?
The canonical SMILES for 2-[(2-methylquinolin-4-yl)methoxy]benzonitrile is Cc1cc(COc2ccccc2C#N)c2ccccc2n1.
What is the InChIKey of 2-[(2-methylquinolin-4-yl)methoxy]benzonitrile?
The InChIKey is AAIMRDWMOAZSCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2O/c1-13-10-15(16-7-3-4-8-17(16)20-13)12-21-18-9-5-2-6-14(18)11-19/h2-10H,12H2,1H3.
What are the key properties of 2-[(2-methylquinolin-4-yl)methoxy]benzonitrile?
2-[(2-methylquinolin-4-yl)methoxy]benzonitrile has a molecular weight of 274.32 g/mol, XLogP of 3.99, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methylquinolin-4-yl)methoxy]benzonitrile is sourced from PubChem (CID 78961975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).