2-[(4,8-dimethyl-2-oxoquinolin-1-yl)methyl]benzonitrile

C19H16N2O — CID 39768209

IUPAC2-[(4,8-dimethyl-2-oxoquinolin-1-yl)methyl]benzonitrile
SMILESCc1cc(=O)n(Cc2ccccc2C#N)c2c(C)cccc12
InChIInChI=1S/C19H16N2O/c1-13-6-5-9-17-14(2)10-18(22)21(19(13)17)12-16-8-4-3-7-15(16)11-20/h3-10H,12H2,1-2H3
InChIKeyJFZYPTMLKQVUKR-UHFFFAOYSA-N
MW288.35 g/mol
LogP3.54
Rot. Bonds2

About 2-[(4,8-dimethyl-2-oxoquinolin-1-yl)methyl]benzonitrile

2-[(4,8-dimethyl-2-oxoquinolin-1-yl)methyl]benzonitrile (PubChem CID 39768209) has the molecular formula C19H16N2O and a molecular weight of 288.35 g/mol. Its IUPAC name is 2-[(4,8-dimethyl-2-oxoquinolin-1-yl)methyl]benzonitrile.

Molecular Properties

Compound Name2-[(4,8-dimethyl-2-oxoquinolin-1-yl)methyl]benzonitrile
PubChem CID39768209
Molecular FormulaC19H16N2O
Molecular Weight288.35 g/mol
Exact Mass288.13
IUPAC Name2-[(4,8-dimethyl-2-oxoquinolin-1-yl)methyl]benzonitrile
SMILESCc1cc(=O)n(Cc2ccccc2C#N)c2c(C)cccc12
InChIInChI=1S/C19H16N2O/c1-13-6-5-9-17-14(2)10-18(22)21(19(13)17)12-16-8-4-3-7-15(16)11-20/h3-10H,12H2,1-2H3
InChIKeyJFZYPTMLKQVUKR-UHFFFAOYSA-N
XLogP3.54
TPSA45.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-[(4,8-dimethyl-2-oxoquinolin-1-yl)methyl]benzonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(4,8-dimethyl-2-oxoquinolin-1-yl)methyl]benzonitrile?
The IUPAC name of 2-[(4,8-dimethyl-2-oxoquinolin-1-yl)methyl]benzonitrile (CID 39768209) is 2-[(4,8-dimethyl-2-oxoquinolin-1-yl)methyl]benzonitrile.
What is the SMILES notation for 2-[(4,8-dimethyl-2-oxoquinolin-1-yl)methyl]benzonitrile?
The canonical SMILES for 2-[(4,8-dimethyl-2-oxoquinolin-1-yl)methyl]benzonitrile is Cc1cc(=O)n(Cc2ccccc2C#N)c2c(C)cccc12.
What is the InChIKey of 2-[(4,8-dimethyl-2-oxoquinolin-1-yl)methyl]benzonitrile?
The InChIKey is JFZYPTMLKQVUKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O/c1-13-6-5-9-17-14(2)10-18(22)21(19(13)17)12-16-8-4-3-7-15(16)11-20/h3-10H,12H2,1-2H3.
What are the key properties of 2-[(4,8-dimethyl-2-oxoquinolin-1-yl)methyl]benzonitrile?
2-[(4,8-dimethyl-2-oxoquinolin-1-yl)methyl]benzonitrile has a molecular weight of 288.35 g/mol, XLogP of 3.54, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,8-dimethyl-2-oxoquinolin-1-yl)methyl]benzonitrile is sourced from PubChem (CID 39768209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).