5-(2-methylquinolin-7-yl)-2-phenylbenzonitrile

C23H16N2 — CID 46888045

IUPAC5-(2-methylquinolin-7-yl)-2-phenylbenzonitrile
SMILESCc1ccc2ccc(-c3ccc(-c4ccccc4)c(C#N)c3)cc2n1
InChIInChI=1S/C23H16N2/c1-16-7-8-18-9-10-20(14-23(18)25-16)19-11-12-22(21(13-19)15-24)17-5-3-2-4-6-17/h2-14H,1H3
InChIKeyAGKCPUQJKJZENU-UHFFFAOYSA-N
MW320.40 g/mol
LogP5.75
Rot. Bonds2

About 5-(2-methylquinolin-7-yl)-2-phenylbenzonitrile

5-(2-methylquinolin-7-yl)-2-phenylbenzonitrile (PubChem CID 46888045) has the molecular formula C23H16N2 and a molecular weight of 320.40 g/mol. Its IUPAC name is 5-(2-methylquinolin-7-yl)-2-phenylbenzonitrile.

Molecular Properties

Compound Name5-(2-methylquinolin-7-yl)-2-phenylbenzonitrile
PubChem CID46888045
Molecular FormulaC23H16N2
Molecular Weight320.40 g/mol
Exact Mass320.13
IUPAC Name5-(2-methylquinolin-7-yl)-2-phenylbenzonitrile
SMILESCc1ccc2ccc(-c3ccc(-c4ccccc4)c(C#N)c3)cc2n1
InChIInChI=1S/C23H16N2/c1-16-7-8-18-9-10-20(14-23(18)25-16)19-11-12-22(21(13-19)15-24)17-5-3-2-4-6-17/h2-14H,1H3
InChIKeyAGKCPUQJKJZENU-UHFFFAOYSA-N
XLogP5.75
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.40
LogP ≤ 55.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(2-methylquinolin-7-yl)-2-phenylbenzonitrile?
The IUPAC name of 5-(2-methylquinolin-7-yl)-2-phenylbenzonitrile (CID 46888045) is 5-(2-methylquinolin-7-yl)-2-phenylbenzonitrile.
What is the SMILES notation for 5-(2-methylquinolin-7-yl)-2-phenylbenzonitrile?
The canonical SMILES for 5-(2-methylquinolin-7-yl)-2-phenylbenzonitrile is Cc1ccc2ccc(-c3ccc(-c4ccccc4)c(C#N)c3)cc2n1.
What is the InChIKey of 5-(2-methylquinolin-7-yl)-2-phenylbenzonitrile?
The InChIKey is AGKCPUQJKJZENU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16N2/c1-16-7-8-18-9-10-20(14-23(18)25-16)19-11-12-22(21(13-19)15-24)17-5-3-2-4-6-17/h2-14H,1H3.
What are the key properties of 5-(2-methylquinolin-7-yl)-2-phenylbenzonitrile?
5-(2-methylquinolin-7-yl)-2-phenylbenzonitrile has a molecular weight of 320.40 g/mol, XLogP of 5.75, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylquinolin-7-yl)-2-phenylbenzonitrile is sourced from PubChem (CID 46888045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).