4-(4-phenylquinolin-2-yl)benzonitrile;hydrochloride

C22H15ClN2 — CID 45354718

IUPAC4-(4-phenylquinolin-2-yl)benzonitrile;hydrochloride
SMILESCl.N#Cc1ccc(-c2cc(-c3ccccc3)c3ccccc3n2)cc1
InChIInChI=1S/C22H14N2.ClH/c23-15-16-10-12-18(13-11-16)22-14-20(17-6-2-1-3-7-17)19-8-4-5-9-21(19)24-22;/h1-14H;1H
InChIKeyURGQPAZNCZHAOA-UHFFFAOYSA-N
MW342.83 g/mol
LogP5.86
Rot. Bonds2

About 4-(4-phenylquinolin-2-yl)benzonitrile;hydrochloride

4-(4-phenylquinolin-2-yl)benzonitrile;hydrochloride (PubChem CID 45354718) has the molecular formula C22H15ClN2 and a molecular weight of 342.83 g/mol. Its IUPAC name is 4-(4-phenylquinolin-2-yl)benzonitrile;hydrochloride.

Molecular Properties

Compound Name4-(4-phenylquinolin-2-yl)benzonitrile;hydrochloride
PubChem CID45354718
Molecular FormulaC22H15ClN2
Molecular Weight342.83 g/mol
Exact Mass342.09
IUPAC Name4-(4-phenylquinolin-2-yl)benzonitrile;hydrochloride
SMILESCl.N#Cc1ccc(-c2cc(-c3ccccc3)c3ccccc3n2)cc1
InChIInChI=1S/C22H14N2.ClH/c23-15-16-10-12-18(13-11-16)22-14-20(17-6-2-1-3-7-17)19-8-4-5-9-21(19)24-22;/h1-14H;1H
InChIKeyURGQPAZNCZHAOA-UHFFFAOYSA-N
XLogP5.86
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.83
LogP ≤ 55.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-[7-(4-cyanophenyl)-2,9-bis(4-phenylphenyl)-1,10-phenanthrolin-4-yl]benzonitrile
CID 70909439
4-(4-acridin-9-ylphenyl)-2,6-bis(4-phenylphenyl)benzo[h]quinoline;4-[2,6-bis(4-phenylphenyl)benzo[h]quinolin-4-yl]benzonitrile
CID 161103794
4-[2-[5-[4-(4-cyanophenyl)-6-phenylpyrimidin-2-yl]naphthalen-1-yl]-6-phenylpyrimidin-4-yl]benzonitrile
CID 122448003
4-[3-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]naphthalen-2-yl]naphthalen-1-yl]benzonitrile
CID 146653715
4-[4-[5-[4-(2,6-diphenyl-4-pyridinyl)phenyl]naphthalen-1-yl]naphthalen-1-yl]benzonitrile
CID 146653688
4-[3-[3-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]naphthalen-1-yl]naphthalen-1-yl]benzonitrile
CID 142488020
4-[3-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]naphthalen-1-yl]naphthalen-1-yl]benzonitrile
CID 142487935
2,4-bis(4-fluorophenyl)quinoline
CID 19694816
2-[2,6-bis(4-phenylphenyl)benzo[h]quinolin-4-yl]benzonitrile;4-[2,6-bis(4-phenylphenyl)benzo[h]quinolin-4-yl]benzonitrile
CID 161310486
4-(4-methoxyphenyl)-2-phenylquinoline
CID 12523263
4-[2-(4-cyanophenyl)-4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]benzonitrile
CID 170032601
4-[4-[3-[4,6-bis(4-phenylphenyl)pyrimidin-2-yl]quinoxalin-2-yl]phenyl]benzonitrile
CID 153355034

Frequently Asked Questions

What is the IUPAC name of 4-(4-phenylquinolin-2-yl)benzonitrile;hydrochloride?
The IUPAC name of 4-(4-phenylquinolin-2-yl)benzonitrile;hydrochloride (CID 45354718) is 4-(4-phenylquinolin-2-yl)benzonitrile;hydrochloride.
What is the SMILES notation for 4-(4-phenylquinolin-2-yl)benzonitrile;hydrochloride?
The canonical SMILES for 4-(4-phenylquinolin-2-yl)benzonitrile;hydrochloride is Cl.N#Cc1ccc(-c2cc(-c3ccccc3)c3ccccc3n2)cc1.
What is the InChIKey of 4-(4-phenylquinolin-2-yl)benzonitrile;hydrochloride?
The InChIKey is URGQPAZNCZHAOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14N2.ClH/c23-15-16-10-12-18(13-11-16)22-14-20(17-6-2-1-3-7-17)19-8-4-5-9-21(19)24-22;/h1-14H;1H.
What are the key properties of 4-(4-phenylquinolin-2-yl)benzonitrile;hydrochloride?
4-(4-phenylquinolin-2-yl)benzonitrile;hydrochloride has a molecular weight of 342.83 g/mol, XLogP of 5.86, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-phenylquinolin-2-yl)benzonitrile;hydrochloride is sourced from PubChem (CID 45354718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).