4-[azetidin-3-yl(ethyl)amino]quinoline-3-carbonitrile

C15H16N4 — CID 66184340

IUPAC4-[azetidin-3-yl(ethyl)amino]quinoline-3-carbonitrile
SMILESCCN(c1c(C#N)cnc2ccccc12)C1CNC1
InChIInChI=1S/C15H16N4/c1-2-19(12-9-17-10-12)15-11(7-16)8-18-14-6-4-3-5-13(14)15/h3-6,8,12,17H,2,9-10H2,1H3
InChIKeyHDAWVRLFGUHSNE-UHFFFAOYSA-N
MW252.32 g/mol
LogP1.90
Rot. Bonds3

About 4-[azetidin-3-yl(ethyl)amino]quinoline-3-carbonitrile

4-[azetidin-3-yl(ethyl)amino]quinoline-3-carbonitrile (PubChem CID 66184340) has the molecular formula C15H16N4 and a molecular weight of 252.32 g/mol. Its IUPAC name is 4-[azetidin-3-yl(ethyl)amino]quinoline-3-carbonitrile.

Molecular Properties

Compound Name4-[azetidin-3-yl(ethyl)amino]quinoline-3-carbonitrile
PubChem CID66184340
Molecular FormulaC15H16N4
Molecular Weight252.32 g/mol
Exact Mass252.14
IUPAC Name4-[azetidin-3-yl(ethyl)amino]quinoline-3-carbonitrile
SMILESCCN(c1c(C#N)cnc2ccccc12)C1CNC1
InChIInChI=1S/C15H16N4/c1-2-19(12-9-17-10-12)15-11(7-16)8-18-14-6-4-3-5-13(14)15/h3-6,8,12,17H,2,9-10H2,1H3
InChIKeyHDAWVRLFGUHSNE-UHFFFAOYSA-N
XLogP1.90
TPSA51.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[azetidin-3-yl(ethyl)amino]quinoline-3-carbonitrile?
The IUPAC name of 4-[azetidin-3-yl(ethyl)amino]quinoline-3-carbonitrile (CID 66184340) is 4-[azetidin-3-yl(ethyl)amino]quinoline-3-carbonitrile.
What is the SMILES notation for 4-[azetidin-3-yl(ethyl)amino]quinoline-3-carbonitrile?
The canonical SMILES for 4-[azetidin-3-yl(ethyl)amino]quinoline-3-carbonitrile is CCN(c1c(C#N)cnc2ccccc12)C1CNC1.
What is the InChIKey of 4-[azetidin-3-yl(ethyl)amino]quinoline-3-carbonitrile?
The InChIKey is HDAWVRLFGUHSNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4/c1-2-19(12-9-17-10-12)15-11(7-16)8-18-14-6-4-3-5-13(14)15/h3-6,8,12,17H,2,9-10H2,1H3.
What are the key properties of 4-[azetidin-3-yl(ethyl)amino]quinoline-3-carbonitrile?
4-[azetidin-3-yl(ethyl)amino]quinoline-3-carbonitrile has a molecular weight of 252.32 g/mol, XLogP of 1.90, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[azetidin-3-yl(ethyl)amino]quinoline-3-carbonitrile is sourced from PubChem (CID 66184340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).