4-[4-[(E)-2-(6-methoxyquinolin-2-yl)ethenyl]phenyl]benzonitrile

C25H18N2O — CID 59562152

IUPAC4-[4-[(E)-2-(6-methoxyquinolin-2-yl)ethenyl]phenyl]benzonitrile
SMILESCOc1ccc2nc(/C=C/c3ccc(-c4ccc(C#N)cc4)cc3)ccc2c1
InChIInChI=1S/C25H18N2O/c1-28-24-14-15-25-22(16-24)11-13-23(27-25)12-6-18-2-7-20(8-3-18)21-9-4-19(17-26)5-10-21/h2-16H,1H3/b12-6+
InChIKeyQHHASMZRWWCDAT-WUXMJOGZSA-N
MW362.43 g/mol
LogP5.95
Rot. Bonds4

About 4-[4-[(E)-2-(6-methoxyquinolin-2-yl)ethenyl]phenyl]benzonitrile

4-[4-[(E)-2-(6-methoxyquinolin-2-yl)ethenyl]phenyl]benzonitrile (PubChem CID 59562152) has the molecular formula C25H18N2O and a molecular weight of 362.43 g/mol. Its IUPAC name is 4-[4-[(E)-2-(6-methoxyquinolin-2-yl)ethenyl]phenyl]benzonitrile.

Molecular Properties

Compound Name4-[4-[(E)-2-(6-methoxyquinolin-2-yl)ethenyl]phenyl]benzonitrile
PubChem CID59562152
Molecular FormulaC25H18N2O
Molecular Weight362.43 g/mol
Exact Mass362.14
IUPAC Name4-[4-[(E)-2-(6-methoxyquinolin-2-yl)ethenyl]phenyl]benzonitrile
SMILESCOc1ccc2nc(/C=C/c3ccc(-c4ccc(C#N)cc4)cc3)ccc2c1
InChIInChI=1S/C25H18N2O/c1-28-24-14-15-25-22(16-24)11-13-23(27-25)12-6-18-2-7-20(8-3-18)21-9-4-19(17-26)5-10-21/h2-16H,1H3/b12-6+
InChIKeyQHHASMZRWWCDAT-WUXMJOGZSA-N
XLogP5.95
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.43
LogP ≤ 55.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-methoxy-2-[(E)-2-phenylethenyl]quinoline
CID 71716208
4-[(E)-2-[3,5-bis[(E)-2-(4-methoxyphenyl)ethenyl]phenyl]ethenyl]benzonitrile
CID 10895981
6-chloro-2-[2-(4-methoxyphenyl)ethenyl]quinoline
CID 71329713
6-methoxy-2-[2-[4-(trifluoromethyl)phenyl]ethenyl]quinoline
CID 166708097
1-methoxy-4-[2-[4-[4-[2-(4-methoxyphenyl)ethenyl]phenyl]phenyl]ethenyl]benzene
CID 54482883
4-methoxy(13C)benzonitrile
CID 175991125
3-(6-methoxyquinolin-2-yl)prop-2-enoic acid
CID 68678260
N,N-bis(4-methoxyphenyl)-2-[2-(1-methylpyridin-1-ium-4-yl)ethenyl]quinolin-6-amine iodide
CID 176897042
4-[(E)-2-[4-(4-methoxyphenyl)phenyl]ethenyl]pyrimidine
CID 57409110
4-[(E)-2-[4-[(E)-2-(2,4,6-trimethoxyphenyl)ethenyl]phenyl]ethenyl]benzonitrile
CID 139175976
3-(6-methoxyquinolin-2-yl)prop-2-enamide
CID 175848652
4-[6-ethenyl-2-(4-methoxyphenyl)-3-pyridinyl]benzonitrile
CID 167185408

Frequently Asked Questions

What is the IUPAC name of 4-[4-[(E)-2-(6-methoxyquinolin-2-yl)ethenyl]phenyl]benzonitrile?
The IUPAC name of 4-[4-[(E)-2-(6-methoxyquinolin-2-yl)ethenyl]phenyl]benzonitrile (CID 59562152) is 4-[4-[(E)-2-(6-methoxyquinolin-2-yl)ethenyl]phenyl]benzonitrile.
What is the SMILES notation for 4-[4-[(E)-2-(6-methoxyquinolin-2-yl)ethenyl]phenyl]benzonitrile?
The canonical SMILES for 4-[4-[(E)-2-(6-methoxyquinolin-2-yl)ethenyl]phenyl]benzonitrile is COc1ccc2nc(/C=C/c3ccc(-c4ccc(C#N)cc4)cc3)ccc2c1.
What is the InChIKey of 4-[4-[(E)-2-(6-methoxyquinolin-2-yl)ethenyl]phenyl]benzonitrile?
The InChIKey is QHHASMZRWWCDAT-WUXMJOGZSA-N. The full InChI is InChI=1S/C25H18N2O/c1-28-24-14-15-25-22(16-24)11-13-23(27-25)12-6-18-2-7-20(8-3-18)21-9-4-19(17-26)5-10-21/h2-16H,1H3/b12-6+.
What are the key properties of 4-[4-[(E)-2-(6-methoxyquinolin-2-yl)ethenyl]phenyl]benzonitrile?
4-[4-[(E)-2-(6-methoxyquinolin-2-yl)ethenyl]phenyl]benzonitrile has a molecular weight of 362.43 g/mol, XLogP of 5.95, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(E)-2-(6-methoxyquinolin-2-yl)ethenyl]phenyl]benzonitrile is sourced from PubChem (CID 59562152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).