3-(2-methylquinolin-7-yl)benzonitrile

C17H12N2 — CID 16747725

IUPAC3-(2-methylquinolin-7-yl)benzonitrile
SMILESCc1ccc2ccc(-c3cccc(C#N)c3)cc2n1
InChIInChI=1S/C17H12N2/c1-12-5-6-14-7-8-16(10-17(14)19-12)15-4-2-3-13(9-15)11-18/h2-10H,1H3
InChIKeyRPEUOKKTGONULE-UHFFFAOYSA-N
MW244.30 g/mol
LogP4.08
Rot. Bonds1

About 3-(2-methylquinolin-7-yl)benzonitrile

3-(2-methylquinolin-7-yl)benzonitrile (PubChem CID 16747725) has the molecular formula C17H12N2 and a molecular weight of 244.30 g/mol. Its IUPAC name is 3-(2-methylquinolin-7-yl)benzonitrile.

Molecular Properties

Compound Name3-(2-methylquinolin-7-yl)benzonitrile
PubChem CID16747725
Molecular FormulaC17H12N2
Molecular Weight244.30 g/mol
Exact Mass244.10
IUPAC Name3-(2-methylquinolin-7-yl)benzonitrile
SMILESCc1ccc2ccc(-c3cccc(C#N)c3)cc2n1
InChIInChI=1S/C17H12N2/c1-12-5-6-14-7-8-16(10-17(14)19-12)15-4-2-3-13(9-15)11-18/h2-10H,1H3
InChIKeyRPEUOKKTGONULE-UHFFFAOYSA-N
XLogP4.08
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methylquinolin-7-yl)benzonitrile?
The IUPAC name of 3-(2-methylquinolin-7-yl)benzonitrile (CID 16747725) is 3-(2-methylquinolin-7-yl)benzonitrile.
What is the SMILES notation for 3-(2-methylquinolin-7-yl)benzonitrile?
The canonical SMILES for 3-(2-methylquinolin-7-yl)benzonitrile is Cc1ccc2ccc(-c3cccc(C#N)c3)cc2n1.
What is the InChIKey of 3-(2-methylquinolin-7-yl)benzonitrile?
The InChIKey is RPEUOKKTGONULE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N2/c1-12-5-6-14-7-8-16(10-17(14)19-12)15-4-2-3-13(9-15)11-18/h2-10H,1H3.
What are the key properties of 3-(2-methylquinolin-7-yl)benzonitrile?
3-(2-methylquinolin-7-yl)benzonitrile has a molecular weight of 244.30 g/mol, XLogP of 4.08, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylquinolin-7-yl)benzonitrile is sourced from PubChem (CID 16747725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).