2-[(2-methylquinolin-8-yl)amino]ethene-1,1,2-tricarbonitrile

C15H9N5 — CID 168606154

IUPAC2-[(2-methylquinolin-8-yl)amino]ethene-1,1,2-tricarbonitrile
SMILESCc1ccc2cccc(NC(C#N)=C(C#N)C#N)c2n1
InChIInChI=1S/C15H9N5/c1-10-5-6-11-3-2-4-13(15(11)19-10)20-14(9-18)12(7-16)8-17/h2-6,20H,1H3
InChIKeyFWIOBGWJIBNLHC-UHFFFAOYSA-N
MW259.27 g/mol
LogP2.78
Rot. Bonds2

About 2-[(2-methylquinolin-8-yl)amino]ethene-1,1,2-tricarbonitrile

2-[(2-methylquinolin-8-yl)amino]ethene-1,1,2-tricarbonitrile (PubChem CID 168606154) has the molecular formula C15H9N5 and a molecular weight of 259.27 g/mol. Its IUPAC name is 2-[(2-methylquinolin-8-yl)amino]ethene-1,1,2-tricarbonitrile.

Molecular Properties

Compound Name2-[(2-methylquinolin-8-yl)amino]ethene-1,1,2-tricarbonitrile
PubChem CID168606154
Molecular FormulaC15H9N5
Molecular Weight259.27 g/mol
Exact Mass259.09
IUPAC Name2-[(2-methylquinolin-8-yl)amino]ethene-1,1,2-tricarbonitrile
SMILESCc1ccc2cccc(NC(C#N)=C(C#N)C#N)c2n1
InChIInChI=1S/C15H9N5/c1-10-5-6-11-3-2-4-13(15(11)19-10)20-14(9-18)12(7-16)8-17/h2-6,20H,1H3
InChIKeyFWIOBGWJIBNLHC-UHFFFAOYSA-N
XLogP2.78
TPSA96.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.27
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[[2-(3,5-dimethylpyrazol-1-yl)quinolin-8-yl]amino]ethene-1,1,2-tricarbonitrile
CID 168607155
(2-methylquinolin-8-yl)hydrazine
CID 957615
methyl 2-[(2-methylquinolin-8-yl)amino]-2-oxoacetate
CID 112617186
2-amino-N-(2-methylquinolin-8-yl)acetamide
CID 62952419
3-[(2-methylquinolin-8-yl)amino]-3-oxopropanoic acid
CID 62953963
CID 66916636
CID 66916636
2-bromo-6-[(2-methylquinolin-8-yl)amino]benzonitrile
CID 114880986
2-hydroxy-N-(2-methylquinolin-8-yl)benzamide
CID 62954992
2-methoxy-N-(2-methylquinolin-8-yl)acetamide
CID 62999446
3,3-dimethyl-N-(2-methylquinolin-8-yl)butanamide
CID 110734160
1-(2-cyanoethyl)-1-[3-(dimethylamino)propyl]-3-(2-methylquinolin-8-yl)urea
CID 71857252
CID 172780914
CID 172780914

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methylquinolin-8-yl)amino]ethene-1,1,2-tricarbonitrile?
The IUPAC name of 2-[(2-methylquinolin-8-yl)amino]ethene-1,1,2-tricarbonitrile (CID 168606154) is 2-[(2-methylquinolin-8-yl)amino]ethene-1,1,2-tricarbonitrile.
What is the SMILES notation for 2-[(2-methylquinolin-8-yl)amino]ethene-1,1,2-tricarbonitrile?
The canonical SMILES for 2-[(2-methylquinolin-8-yl)amino]ethene-1,1,2-tricarbonitrile is Cc1ccc2cccc(NC(C#N)=C(C#N)C#N)c2n1.
What is the InChIKey of 2-[(2-methylquinolin-8-yl)amino]ethene-1,1,2-tricarbonitrile?
The InChIKey is FWIOBGWJIBNLHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9N5/c1-10-5-6-11-3-2-4-13(15(11)19-10)20-14(9-18)12(7-16)8-17/h2-6,20H,1H3.
What are the key properties of 2-[(2-methylquinolin-8-yl)amino]ethene-1,1,2-tricarbonitrile?
2-[(2-methylquinolin-8-yl)amino]ethene-1,1,2-tricarbonitrile has a molecular weight of 259.27 g/mol, XLogP of 2.78, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methylquinolin-8-yl)amino]ethene-1,1,2-tricarbonitrile is sourced from PubChem (CID 168606154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).