2-(2-imidazol-1-ylethylamino)quinoline-6-carbonitrile

C15H13N5 — CID 75505975

IUPAC2-(2-imidazol-1-ylethylamino)quinoline-6-carbonitrile
SMILESN#Cc1ccc2nc(NCCn3ccnc3)ccc2c1
InChIInChI=1S/C15H13N5/c16-10-12-1-3-14-13(9-12)2-4-15(19-14)18-6-8-20-7-5-17-11-20/h1-5,7,9,11H,6,8H2,(H,18,19)
InChIKeyPYPUYCDIJOPDLP-UHFFFAOYSA-N
MW263.30 g/mol
LogP2.42
Rot. Bonds4

About 2-(2-imidazol-1-ylethylamino)quinoline-6-carbonitrile

2-(2-imidazol-1-ylethylamino)quinoline-6-carbonitrile (PubChem CID 75505975) has the molecular formula C15H13N5 and a molecular weight of 263.30 g/mol. Its IUPAC name is 2-(2-imidazol-1-ylethylamino)quinoline-6-carbonitrile.

Molecular Properties

Compound Name2-(2-imidazol-1-ylethylamino)quinoline-6-carbonitrile
PubChem CID75505975
Molecular FormulaC15H13N5
Molecular Weight263.30 g/mol
Exact Mass263.12
IUPAC Name2-(2-imidazol-1-ylethylamino)quinoline-6-carbonitrile
SMILESN#Cc1ccc2nc(NCCn3ccnc3)ccc2c1
InChIInChI=1S/C15H13N5/c16-10-12-1-3-14-13(9-12)2-4-15(19-14)18-6-8-20-7-5-17-11-20/h1-5,7,9,11H,6,8H2,(H,18,19)
InChIKeyPYPUYCDIJOPDLP-UHFFFAOYSA-N
XLogP2.42
TPSA66.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-imidazol-1-ylethyl)-6-nitroquinolin-2-amine
CID 61324302
N-(2-imidazol-1-ylethyl)pyrido[2,3-b]pyrazin-6-amine
CID 78955202
6-(3-imidazol-1-ylpropylamino)pyridine-3-carbonitrile
CID 28880579
2-[3-(ethylamino)propylamino]quinoline-6-carbonitrile
CID 142873933
3-bromo-4-(3-imidazol-1-ylpropylamino)benzonitrile
CID 82796853
2-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]quinoline-6-carbonitrile
CID 133444982
2-[(3-hydroxy-3-phenylbutyl)amino]quinoline-6-carbonitrile
CID 133495701
5-(2-imidazol-1-ylethylamino)pyridine-2-carbonitrile
CID 115487555
2-(2-imidazol-1-ylethylamino)benzonitrile
CID 60677676
2-amino-4-(3-imidazol-1-ylpropyl)quinazoline-6-carbonitrile
CID 22069327
N-(2-imidazol-1-ylethyl)pyrimidin-4-amine
CID 61325111
3-[1-(3-imidazol-1-ylpropylamino)ethyl]benzonitrile
CID 43773848

Frequently Asked Questions

What is the IUPAC name of 2-(2-imidazol-1-ylethylamino)quinoline-6-carbonitrile?
The IUPAC name of 2-(2-imidazol-1-ylethylamino)quinoline-6-carbonitrile (CID 75505975) is 2-(2-imidazol-1-ylethylamino)quinoline-6-carbonitrile.
What is the SMILES notation for 2-(2-imidazol-1-ylethylamino)quinoline-6-carbonitrile?
The canonical SMILES for 2-(2-imidazol-1-ylethylamino)quinoline-6-carbonitrile is N#Cc1ccc2nc(NCCn3ccnc3)ccc2c1.
What is the InChIKey of 2-(2-imidazol-1-ylethylamino)quinoline-6-carbonitrile?
The InChIKey is PYPUYCDIJOPDLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N5/c16-10-12-1-3-14-13(9-12)2-4-15(19-14)18-6-8-20-7-5-17-11-20/h1-5,7,9,11H,6,8H2,(H,18,19).
What are the key properties of 2-(2-imidazol-1-ylethylamino)quinoline-6-carbonitrile?
2-(2-imidazol-1-ylethylamino)quinoline-6-carbonitrile has a molecular weight of 263.30 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-imidazol-1-ylethylamino)quinoline-6-carbonitrile is sourced from PubChem (CID 75505975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).