3-[2-(quinolin-8-ylmethylamino)ethyl]benzonitrile

C19H17N3 — CID 136539961

IUPAC3-[2-(quinolin-8-ylmethylamino)ethyl]benzonitrile
SMILESN#Cc1cccc(CCNCc2cccc3cccnc23)c1
InChIInChI=1S/C19H17N3/c20-13-16-5-1-4-15(12-16)9-11-21-14-18-7-2-6-17-8-3-10-22-19(17)18/h1-8,10,12,21H,9,11,14H2
InChIKeyHFYWMXQPHIPBKL-UHFFFAOYSA-N
MW287.37 g/mol
LogP3.44
Rot. Bonds5

About 3-[2-(quinolin-8-ylmethylamino)ethyl]benzonitrile

3-[2-(quinolin-8-ylmethylamino)ethyl]benzonitrile (PubChem CID 136539961) has the molecular formula C19H17N3 and a molecular weight of 287.37 g/mol. Its IUPAC name is 3-[2-(quinolin-8-ylmethylamino)ethyl]benzonitrile.

Molecular Properties

Compound Name3-[2-(quinolin-8-ylmethylamino)ethyl]benzonitrile
PubChem CID136539961
Molecular FormulaC19H17N3
Molecular Weight287.37 g/mol
Exact Mass287.14
IUPAC Name3-[2-(quinolin-8-ylmethylamino)ethyl]benzonitrile
SMILESN#Cc1cccc(CCNCc2cccc3cccnc23)c1
InChIInChI=1S/C19H17N3/c20-13-16-5-1-4-15(12-16)9-11-21-14-18-7-2-6-17-8-3-10-22-19(17)18/h1-8,10,12,21H,9,11,14H2
InChIKeyHFYWMXQPHIPBKL-UHFFFAOYSA-N
XLogP3.44
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(quinolin-8-ylmethylamino)benzonitrile
CID 28615937
2-[(2-quinolin-8-ylethylamino)methyl]phenol
CID 78916472
N-(quinolin-8-ylmethyl)butan-1-amine
CID 28613793
3-fluoro-N-(quinolin-8-ylmethyl)propan-1-amine
CID 81435594
1-methyl-4-[(quinolin-8-ylmethylamino)methyl]pyrrole-2-carbonitrile
CID 103203473
6-chloro-N-(quinolin-8-ylmethyl)hexan-1-amine
CID 107845431
N-[(3,5-dichlorophenyl)methyl]-1-quinolin-8-ylmethanamine
CID 78980821
5-(quinolin-8-ylmethylamino)pentan-1-ol
CID 81427382
2-quinolin-8-yl-N-(thiophen-3-ylmethyl)ethanamine
CID 112727575
N-(pyrimidin-5-ylmethyl)-1-quinolin-8-ylmethanamine
CID 78921379
2-(quinolin-8-ylmethylamino)ethyl carbamate
CID 83209261
N-(2-cyanoethyl)-2-(quinolin-8-ylmethylamino)acetamide
CID 81427738

Frequently Asked Questions

What is the IUPAC name of 3-[2-(quinolin-8-ylmethylamino)ethyl]benzonitrile?
The IUPAC name of 3-[2-(quinolin-8-ylmethylamino)ethyl]benzonitrile (CID 136539961) is 3-[2-(quinolin-8-ylmethylamino)ethyl]benzonitrile.
What is the SMILES notation for 3-[2-(quinolin-8-ylmethylamino)ethyl]benzonitrile?
The canonical SMILES for 3-[2-(quinolin-8-ylmethylamino)ethyl]benzonitrile is N#Cc1cccc(CCNCc2cccc3cccnc23)c1.
What is the InChIKey of 3-[2-(quinolin-8-ylmethylamino)ethyl]benzonitrile?
The InChIKey is HFYWMXQPHIPBKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3/c20-13-16-5-1-4-15(12-16)9-11-21-14-18-7-2-6-17-8-3-10-22-19(17)18/h1-8,10,12,21H,9,11,14H2.
What are the key properties of 3-[2-(quinolin-8-ylmethylamino)ethyl]benzonitrile?
3-[2-(quinolin-8-ylmethylamino)ethyl]benzonitrile has a molecular weight of 287.37 g/mol, XLogP of 3.44, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(quinolin-8-ylmethylamino)ethyl]benzonitrile is sourced from PubChem (CID 136539961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).