3-(quinolin-8-ylmethylamino)benzonitrile

C17H13N3 — CID 28615937

IUPAC3-(quinolin-8-ylmethylamino)benzonitrile
SMILESN#Cc1cccc(NCc2cccc3cccnc23)c1
InChIInChI=1S/C17H13N3/c18-11-13-4-1-8-16(10-13)20-12-15-6-2-5-14-7-3-9-19-17(14)15/h1-10,20H,12H2
InChIKeyQTSXTJPOVVYJAY-UHFFFAOYSA-N
MW259.31 g/mol
LogP3.72
Rot. Bonds3

About 3-(quinolin-8-ylmethylamino)benzonitrile

3-(quinolin-8-ylmethylamino)benzonitrile (PubChem CID 28615937) has the molecular formula C17H13N3 and a molecular weight of 259.31 g/mol. Its IUPAC name is 3-(quinolin-8-ylmethylamino)benzonitrile.

Molecular Properties

Compound Name3-(quinolin-8-ylmethylamino)benzonitrile
PubChem CID28615937
Molecular FormulaC17H13N3
Molecular Weight259.31 g/mol
Exact Mass259.11
IUPAC Name3-(quinolin-8-ylmethylamino)benzonitrile
SMILESN#Cc1cccc(NCc2cccc3cccnc23)c1
InChIInChI=1S/C17H13N3/c18-11-13-4-1-8-16(10-13)20-12-15-6-2-5-14-7-3-9-19-17(14)15/h1-10,20H,12H2
InChIKeyQTSXTJPOVVYJAY-UHFFFAOYSA-N
XLogP3.72
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-4-(quinolin-8-ylmethylamino)benzonitrile
CID 43347935
N-(quinolin-8-ylmethyl)aniline
CID 28610045
3-N-(quinolin-8-ylmethyl)benzene-1,3-diamine
CID 81428850
3-[2-(quinolin-8-ylmethylamino)ethyl]benzonitrile
CID 136539961
2-chloro-6-(quinolin-8-ylmethylamino)benzonitrile
CID 81426754
4-methyl-N-(quinolin-8-ylmethyl)aniline
CID 28619601
3-[[2-(pyridin-2-ylmethoxy)phenyl]methylamino]benzonitrile
CID 75471136
4-bromo-2-(quinolin-8-ylmethylamino)benzonitrile
CID 114902063
N-(3-cyanophenyl)-2-(quinolin-8-ylamino)acetamide
CID 109010987
4-(quinolin-8-ylmethylamino)pyridine-2-carbothioamide
CID 81426601
N-(quinolin-8-ylmethyl)-1H-indazol-6-amine
CID 43743373
1-propan-2-yl-N-(quinolin-8-ylmethyl)pyrazol-4-amine
CID 62902643

Frequently Asked Questions

What is the IUPAC name of 3-(quinolin-8-ylmethylamino)benzonitrile?
The IUPAC name of 3-(quinolin-8-ylmethylamino)benzonitrile (CID 28615937) is 3-(quinolin-8-ylmethylamino)benzonitrile.
What is the SMILES notation for 3-(quinolin-8-ylmethylamino)benzonitrile?
The canonical SMILES for 3-(quinolin-8-ylmethylamino)benzonitrile is N#Cc1cccc(NCc2cccc3cccnc23)c1.
What is the InChIKey of 3-(quinolin-8-ylmethylamino)benzonitrile?
The InChIKey is QTSXTJPOVVYJAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3/c18-11-13-4-1-8-16(10-13)20-12-15-6-2-5-14-7-3-9-19-17(14)15/h1-10,20H,12H2.
What are the key properties of 3-(quinolin-8-ylmethylamino)benzonitrile?
3-(quinolin-8-ylmethylamino)benzonitrile has a molecular weight of 259.31 g/mol, XLogP of 3.72, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(quinolin-8-ylmethylamino)benzonitrile is sourced from PubChem (CID 28615937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).