2-(1-cyclobutylethylamino)quinoline-4-carbonitrile

C16H17N3 — CID 115766655

IUPAC2-(1-cyclobutylethylamino)quinoline-4-carbonitrile
SMILESCC(Nc1cc(C#N)c2ccccc2n1)C1CCC1
InChIInChI=1S/C16H17N3/c1-11(12-5-4-6-12)18-16-9-13(10-17)14-7-2-3-8-15(14)19-16/h2-3,7-9,11-12H,4-6H2,1H3,(H,18,19)
InChIKeySVSVSIYZGKDETM-UHFFFAOYSA-N
MW251.33 g/mol
LogP3.71
Rot. Bonds3

About 2-(1-cyclobutylethylamino)quinoline-4-carbonitrile

2-(1-cyclobutylethylamino)quinoline-4-carbonitrile (PubChem CID 115766655) has the molecular formula C16H17N3 and a molecular weight of 251.33 g/mol. Its IUPAC name is 2-(1-cyclobutylethylamino)quinoline-4-carbonitrile.

Molecular Properties

Compound Name2-(1-cyclobutylethylamino)quinoline-4-carbonitrile
PubChem CID115766655
Molecular FormulaC16H17N3
Molecular Weight251.33 g/mol
Exact Mass251.14
IUPAC Name2-(1-cyclobutylethylamino)quinoline-4-carbonitrile
SMILESCC(Nc1cc(C#N)c2ccccc2n1)C1CCC1
InChIInChI=1S/C16H17N3/c1-11(12-5-4-6-12)18-16-9-13(10-17)14-7-2-3-8-15(14)19-16/h2-3,7-9,11-12H,4-6H2,1H3,(H,18,19)
InChIKeySVSVSIYZGKDETM-UHFFFAOYSA-N
XLogP3.71
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclobutylethylamino)quinoline-4-carbonitrile?
The IUPAC name of 2-(1-cyclobutylethylamino)quinoline-4-carbonitrile (CID 115766655) is 2-(1-cyclobutylethylamino)quinoline-4-carbonitrile.
What is the SMILES notation for 2-(1-cyclobutylethylamino)quinoline-4-carbonitrile?
The canonical SMILES for 2-(1-cyclobutylethylamino)quinoline-4-carbonitrile is CC(Nc1cc(C#N)c2ccccc2n1)C1CCC1.
What is the InChIKey of 2-(1-cyclobutylethylamino)quinoline-4-carbonitrile?
The InChIKey is SVSVSIYZGKDETM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3/c1-11(12-5-4-6-12)18-16-9-13(10-17)14-7-2-3-8-15(14)19-16/h2-3,7-9,11-12H,4-6H2,1H3,(H,18,19).
What are the key properties of 2-(1-cyclobutylethylamino)quinoline-4-carbonitrile?
2-(1-cyclobutylethylamino)quinoline-4-carbonitrile has a molecular weight of 251.33 g/mol, XLogP of 3.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclobutylethylamino)quinoline-4-carbonitrile is sourced from PubChem (CID 115766655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).