4-(4-oxo-2-phenylquinolin-1-yl)benzonitrile

C22H14N2O — CID 102287988

IUPAC4-(4-oxo-2-phenylquinolin-1-yl)benzonitrile
SMILESN#Cc1ccc(-n2c(-c3ccccc3)cc(=O)c3ccccc32)cc1
InChIInChI=1S/C22H14N2O/c23-15-16-10-12-18(13-11-16)24-20-9-5-4-8-19(20)22(25)14-21(24)17-6-2-1-3-7-17/h1-14H
InChIKeyFRZCWJLSFGSURE-UHFFFAOYSA-N
MW322.37 g/mol
LogP4.53
Rot. Bonds2

About 4-(4-oxo-2-phenylquinolin-1-yl)benzonitrile

4-(4-oxo-2-phenylquinolin-1-yl)benzonitrile (PubChem CID 102287988) has the molecular formula C22H14N2O and a molecular weight of 322.37 g/mol. Its IUPAC name is 4-(4-oxo-2-phenylquinolin-1-yl)benzonitrile.

Molecular Properties

Compound Name4-(4-oxo-2-phenylquinolin-1-yl)benzonitrile
PubChem CID102287988
Molecular FormulaC22H14N2O
Molecular Weight322.37 g/mol
Exact Mass322.11
IUPAC Name4-(4-oxo-2-phenylquinolin-1-yl)benzonitrile
SMILESN#Cc1ccc(-n2c(-c3ccccc3)cc(=O)c3ccccc32)cc1
InChIInChI=1S/C22H14N2O/c23-15-16-10-12-18(13-11-16)24-20-9-5-4-8-19(20)22(25)14-21(24)17-6-2-1-3-7-17/h1-14H
InChIKeyFRZCWJLSFGSURE-UHFFFAOYSA-N
XLogP4.53
TPSA45.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-nitrophenyl)-2-phenylquinolin-4-one
CID 44632197
4-[4-[3-[9-(4-phenylphenyl)carbazol-3-yl]carbazol-9-yl]phenyl]benzonitrile
CID 129065173
2-(3-chlorophenyl)-1-phenylquinolin-4-one
CID 102171684
4-[4-[3,6-bis(4-phenylphenyl)carbazol-9-yl]phenyl]benzonitrile
CID 118632433
4-[3,6-di(carbazol-9-yl)carbazol-9-yl]benzonitrile
CID 59399298
4-[4-[3-[9-(3-phenylphenyl)carbazol-3-yl]carbazol-9-yl]phenyl]benzonitrile
CID 126747004
6-carbazol-9-yl-9-phenylcarbazole-3-carbonitrile
CID 134597724
4-[2-[4-[3,6-di(carbazol-9-yl)carbazol-9-yl]phenyl]phenyl]benzonitrile
CID 138708456
3-[4-(6,9-diphenylcarbazol-3-yl)phenyl]-6,9-diphenylcarbazole;9-phenyl-6-[4-(9-phenylcarbazol-3-yl)phenyl]carbazole-3-carbonitrile
CID 159170044
4-[4-[2-[9-(4-cyanophenyl)carbazol-3-yl]carbazol-9-yl]phenyl]benzonitrile
CID 153301946
4-[3-[4-[3,6-di(carbazol-9-yl)carbazol-9-yl]phenyl]-2-phenylphenyl]benzonitrile
CID 138675154
4-[2-phenyl-6-[4-(5-phenylindolo[3,2-b]carbazol-11-yl)phenyl]pyrimidin-4-yl]benzonitrile
CID 144596017

Frequently Asked Questions

What is the IUPAC name of 4-(4-oxo-2-phenylquinolin-1-yl)benzonitrile?
The IUPAC name of 4-(4-oxo-2-phenylquinolin-1-yl)benzonitrile (CID 102287988) is 4-(4-oxo-2-phenylquinolin-1-yl)benzonitrile.
What is the SMILES notation for 4-(4-oxo-2-phenylquinolin-1-yl)benzonitrile?
The canonical SMILES for 4-(4-oxo-2-phenylquinolin-1-yl)benzonitrile is N#Cc1ccc(-n2c(-c3ccccc3)cc(=O)c3ccccc32)cc1.
What is the InChIKey of 4-(4-oxo-2-phenylquinolin-1-yl)benzonitrile?
The InChIKey is FRZCWJLSFGSURE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14N2O/c23-15-16-10-12-18(13-11-16)24-20-9-5-4-8-19(20)22(25)14-21(24)17-6-2-1-3-7-17/h1-14H.
What are the key properties of 4-(4-oxo-2-phenylquinolin-1-yl)benzonitrile?
4-(4-oxo-2-phenylquinolin-1-yl)benzonitrile has a molecular weight of 322.37 g/mol, XLogP of 4.53, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-oxo-2-phenylquinolin-1-yl)benzonitrile is sourced from PubChem (CID 102287988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).