2-(3,4-dihydro-2H-quinolin-1-yl)benzonitrile

C16H14N2 — CID 21297635

IUPAC2-(3,4-dihydro-2H-quinolin-1-yl)benzonitrile
SMILESN#Cc1ccccc1N1CCCc2ccccc21
InChIInChI=1S/C16H14N2/c17-12-14-7-2-4-10-16(14)18-11-5-8-13-6-1-3-9-15(13)18/h1-4,6-7,9-10H,5,8,11H2
InChIKeyBCTZMIBGNYFBLK-UHFFFAOYSA-N
MW234.30 g/mol
LogP3.64
Rot. Bonds1

About 2-(3,4-dihydro-2H-quinolin-1-yl)benzonitrile

2-(3,4-dihydro-2H-quinolin-1-yl)benzonitrile (PubChem CID 21297635) has the molecular formula C16H14N2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 2-(3,4-dihydro-2H-quinolin-1-yl)benzonitrile.

Molecular Properties

Compound Name2-(3,4-dihydro-2H-quinolin-1-yl)benzonitrile
PubChem CID21297635
Molecular FormulaC16H14N2
Molecular Weight234.30 g/mol
Exact Mass234.12
IUPAC Name2-(3,4-dihydro-2H-quinolin-1-yl)benzonitrile
SMILESN#Cc1ccccc1N1CCCc2ccccc21
InChIInChI=1S/C16H14N2/c17-12-14-7-2-4-10-16(14)18-11-5-8-13-6-1-3-9-15(13)18/h1-4,6-7,9-10H,5,8,11H2
InChIKeyBCTZMIBGNYFBLK-UHFFFAOYSA-N
XLogP3.64
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydro-2H-quinolin-1-yl)benzonitrile?
The IUPAC name of 2-(3,4-dihydro-2H-quinolin-1-yl)benzonitrile (CID 21297635) is 2-(3,4-dihydro-2H-quinolin-1-yl)benzonitrile.
What is the SMILES notation for 2-(3,4-dihydro-2H-quinolin-1-yl)benzonitrile?
The canonical SMILES for 2-(3,4-dihydro-2H-quinolin-1-yl)benzonitrile is N#Cc1ccccc1N1CCCc2ccccc21.
What is the InChIKey of 2-(3,4-dihydro-2H-quinolin-1-yl)benzonitrile?
The InChIKey is BCTZMIBGNYFBLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2/c17-12-14-7-2-4-10-16(14)18-11-5-8-13-6-1-3-9-15(13)18/h1-4,6-7,9-10H,5,8,11H2.
What are the key properties of 2-(3,4-dihydro-2H-quinolin-1-yl)benzonitrile?
2-(3,4-dihydro-2H-quinolin-1-yl)benzonitrile has a molecular weight of 234.30 g/mol, XLogP of 3.64, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dihydro-2H-quinolin-1-yl)benzonitrile is sourced from PubChem (CID 21297635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).