4-(1,2,3,4-tetrahydroquinolin-6-yl)benzonitrile

C16H14N2 — CID 23004946

IUPAC4-(1,2,3,4-tetrahydroquinolin-6-yl)benzonitrile
SMILESN#Cc1ccc(-c2ccc3c(c2)CCCN3)cc1
InChIInChI=1S/C16H14N2/c17-11-12-3-5-13(6-4-12)14-7-8-16-15(10-14)2-1-9-18-16/h3-8,10,18H,1-2,9H2
InChIKeyQNHNMSJQOVYRNC-UHFFFAOYSA-N
MW234.30 g/mol
LogP3.58
Rot. Bonds1

About 4-(1,2,3,4-tetrahydroquinolin-6-yl)benzonitrile

4-(1,2,3,4-tetrahydroquinolin-6-yl)benzonitrile (PubChem CID 23004946) has the molecular formula C16H14N2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 4-(1,2,3,4-tetrahydroquinolin-6-yl)benzonitrile.

Molecular Properties

Compound Name4-(1,2,3,4-tetrahydroquinolin-6-yl)benzonitrile
PubChem CID23004946
Molecular FormulaC16H14N2
Molecular Weight234.30 g/mol
Exact Mass234.12
IUPAC Name4-(1,2,3,4-tetrahydroquinolin-6-yl)benzonitrile
SMILESN#Cc1ccc(-c2ccc3c(c2)CCCN3)cc1
InChIInChI=1S/C16H14N2/c17-11-12-3-5-13(6-4-12)14-7-8-16-15(10-14)2-1-9-18-16/h3-8,10,18H,1-2,9H2
InChIKeyQNHNMSJQOVYRNC-UHFFFAOYSA-N
XLogP3.58
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-dimethyl-4-(1,2,3,4-tetrahydroquinolin-6-yl)aniline
CID 39232365
6-(4-propan-2-ylphenyl)-1,2,3,4-tetrahydroquinoline
CID 55197505
6-ethynyl-1,2,3,4-tetrahydroquinoline
CID 19702071
6-pyrimidin-5-yl-1,2,3,4-tetrahydroquinoline
CID 23004948
6-(furan-3-yl)-1,2,3,4-tetrahydroquinoline
CID 63950356
6-thiophen-3-yl-1,2,3,4-tetrahydroquinoline
CID 23004941
5-(5,6,7,8-tetrahydronaphthalen-2-yl)-2,3-dihydro-1H-indole
CID 63424177
6-(2,3,4,5,6-pentamethylphenyl)-1,2,3,4-tetrahydroquinoline
CID 63424137
2-(1,2,3,4-tetrahydroquinolin-6-yl)acetonitrile
CID 116997937
2-[4-(1,2,3,4-tetrahydroquinolin-6-yl)phenyl]acetic acid
CID 39226276
2-methyl-2-[4-(1,2,3,4-tetrahydroquinolin-6-yl)phenyl]propanoic acid
CID 39226300
6-(4-methoxy-3-methylphenyl)-1,2,3,4-tetrahydroquinoline
CID 62500963

Frequently Asked Questions

What is the IUPAC name of 4-(1,2,3,4-tetrahydroquinolin-6-yl)benzonitrile?
The IUPAC name of 4-(1,2,3,4-tetrahydroquinolin-6-yl)benzonitrile (CID 23004946) is 4-(1,2,3,4-tetrahydroquinolin-6-yl)benzonitrile.
What is the SMILES notation for 4-(1,2,3,4-tetrahydroquinolin-6-yl)benzonitrile?
The canonical SMILES for 4-(1,2,3,4-tetrahydroquinolin-6-yl)benzonitrile is N#Cc1ccc(-c2ccc3c(c2)CCCN3)cc1.
What is the InChIKey of 4-(1,2,3,4-tetrahydroquinolin-6-yl)benzonitrile?
The InChIKey is QNHNMSJQOVYRNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2/c17-11-12-3-5-13(6-4-12)14-7-8-16-15(10-14)2-1-9-18-16/h3-8,10,18H,1-2,9H2.
What are the key properties of 4-(1,2,3,4-tetrahydroquinolin-6-yl)benzonitrile?
4-(1,2,3,4-tetrahydroquinolin-6-yl)benzonitrile has a molecular weight of 234.30 g/mol, XLogP of 3.58, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,2,3,4-tetrahydroquinolin-6-yl)benzonitrile is sourced from PubChem (CID 23004946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).