4-[2-(1,2,3,4-tetrahydroquinolin-4-yl)ethyl]benzonitrile

C18H18N2 — CID 155569525

IUPAC4-[2-(1,2,3,4-tetrahydroquinolin-4-yl)ethyl]benzonitrile
SMILESN#Cc1ccc(CCC2CCNc3ccccc32)cc1
InChIInChI=1S/C18H18N2/c19-13-15-7-5-14(6-8-15)9-10-16-11-12-20-18-4-2-1-3-17(16)18/h1-8,16,20H,9-12H2
InChIKeyNFBXBYFXBRLOSX-UHFFFAOYSA-N
MW262.36 g/mol
LogP4.09
Rot. Bonds3

About 4-[2-(1,2,3,4-tetrahydroquinolin-4-yl)ethyl]benzonitrile

4-[2-(1,2,3,4-tetrahydroquinolin-4-yl)ethyl]benzonitrile (PubChem CID 155569525) has the molecular formula C18H18N2 and a molecular weight of 262.36 g/mol. Its IUPAC name is 4-[2-(1,2,3,4-tetrahydroquinolin-4-yl)ethyl]benzonitrile.

Molecular Properties

Compound Name4-[2-(1,2,3,4-tetrahydroquinolin-4-yl)ethyl]benzonitrile
PubChem CID155569525
Molecular FormulaC18H18N2
Molecular Weight262.36 g/mol
Exact Mass262.15
IUPAC Name4-[2-(1,2,3,4-tetrahydroquinolin-4-yl)ethyl]benzonitrile
SMILESN#Cc1ccc(CCC2CCNc3ccccc32)cc1
InChIInChI=1S/C18H18N2/c19-13-15-7-5-14(6-8-15)9-10-16-11-12-20-18-4-2-1-3-17(16)18/h1-8,16,20H,9-12H2
InChIKeyNFBXBYFXBRLOSX-UHFFFAOYSA-N
XLogP4.09
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(1,2,3,4-tetrahydroquinolin-4-yl)ethyl]benzonitrile?
The IUPAC name of 4-[2-(1,2,3,4-tetrahydroquinolin-4-yl)ethyl]benzonitrile (CID 155569525) is 4-[2-(1,2,3,4-tetrahydroquinolin-4-yl)ethyl]benzonitrile.
What is the SMILES notation for 4-[2-(1,2,3,4-tetrahydroquinolin-4-yl)ethyl]benzonitrile?
The canonical SMILES for 4-[2-(1,2,3,4-tetrahydroquinolin-4-yl)ethyl]benzonitrile is N#Cc1ccc(CCC2CCNc3ccccc32)cc1.
What is the InChIKey of 4-[2-(1,2,3,4-tetrahydroquinolin-4-yl)ethyl]benzonitrile?
The InChIKey is NFBXBYFXBRLOSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2/c19-13-15-7-5-14(6-8-15)9-10-16-11-12-20-18-4-2-1-3-17(16)18/h1-8,16,20H,9-12H2.
What are the key properties of 4-[2-(1,2,3,4-tetrahydroquinolin-4-yl)ethyl]benzonitrile?
4-[2-(1,2,3,4-tetrahydroquinolin-4-yl)ethyl]benzonitrile has a molecular weight of 262.36 g/mol, XLogP of 4.09, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(1,2,3,4-tetrahydroquinolin-4-yl)ethyl]benzonitrile is sourced from PubChem (CID 155569525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).