6-(2-aminoethylamino)quinoline-5-carbonitrile

C12H12N4 — CID 23188461

IUPAC6-(2-aminoethylamino)quinoline-5-carbonitrile
SMILESN#Cc1c(NCCN)ccc2ncccc12
InChIInChI=1S/C12H12N4/c13-5-7-16-12-4-3-11-9(10(12)8-14)2-1-6-15-11/h1-4,6,16H,5,7,13H2
InChIKeyNFNVSXLTXZNERZ-UHFFFAOYSA-N
MW212.26 g/mol
LogP1.48
Rot. Bonds3

About 6-(2-aminoethylamino)quinoline-5-carbonitrile

6-(2-aminoethylamino)quinoline-5-carbonitrile (PubChem CID 23188461) has the molecular formula C12H12N4 and a molecular weight of 212.26 g/mol. Its IUPAC name is 6-(2-aminoethylamino)quinoline-5-carbonitrile.

Molecular Properties

Compound Name6-(2-aminoethylamino)quinoline-5-carbonitrile
PubChem CID23188461
Molecular FormulaC12H12N4
Molecular Weight212.26 g/mol
Exact Mass212.11
IUPAC Name6-(2-aminoethylamino)quinoline-5-carbonitrile
SMILESN#Cc1c(NCCN)ccc2ncccc12
InChIInChI=1S/C12H12N4/c13-5-7-16-12-4-3-11-9(10(12)8-14)2-1-6-15-11/h1-4,6,16H,5,7,13H2
InChIKeyNFNVSXLTXZNERZ-UHFFFAOYSA-N
XLogP1.48
TPSA74.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.26
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(2-aminoethylamino)quinoline-5-carbonitrile?
The IUPAC name of 6-(2-aminoethylamino)quinoline-5-carbonitrile (CID 23188461) is 6-(2-aminoethylamino)quinoline-5-carbonitrile.
What is the SMILES notation for 6-(2-aminoethylamino)quinoline-5-carbonitrile?
The canonical SMILES for 6-(2-aminoethylamino)quinoline-5-carbonitrile is N#Cc1c(NCCN)ccc2ncccc12.
What is the InChIKey of 6-(2-aminoethylamino)quinoline-5-carbonitrile?
The InChIKey is NFNVSXLTXZNERZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4/c13-5-7-16-12-4-3-11-9(10(12)8-14)2-1-6-15-11/h1-4,6,16H,5,7,13H2.
What are the key properties of 6-(2-aminoethylamino)quinoline-5-carbonitrile?
6-(2-aminoethylamino)quinoline-5-carbonitrile has a molecular weight of 212.26 g/mol, XLogP of 1.48, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-aminoethylamino)quinoline-5-carbonitrile is sourced from PubChem (CID 23188461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).