2-(hexan-2-ylamino)quinoline-4-carbonitrile

C16H19N3 — CID 63886594

IUPAC2-(hexan-2-ylamino)quinoline-4-carbonitrile
SMILESCCCCC(C)Nc1cc(C#N)c2ccccc2n1
InChIInChI=1S/C16H19N3/c1-3-4-7-12(2)18-16-10-13(11-17)14-8-5-6-9-15(14)19-16/h5-6,8-10,12H,3-4,7H2,1-2H3,(H,18,19)
InChIKeyHCDXSJDEZAADEV-UHFFFAOYSA-N
MW253.35 g/mol
LogP4.10
Rot. Bonds5

About 2-(hexan-2-ylamino)quinoline-4-carbonitrile

2-(hexan-2-ylamino)quinoline-4-carbonitrile (PubChem CID 63886594) has the molecular formula C16H19N3 and a molecular weight of 253.35 g/mol. Its IUPAC name is 2-(hexan-2-ylamino)quinoline-4-carbonitrile.

Molecular Properties

Compound Name2-(hexan-2-ylamino)quinoline-4-carbonitrile
PubChem CID63886594
Molecular FormulaC16H19N3
Molecular Weight253.35 g/mol
Exact Mass253.16
IUPAC Name2-(hexan-2-ylamino)quinoline-4-carbonitrile
SMILESCCCCC(C)Nc1cc(C#N)c2ccccc2n1
InChIInChI=1S/C16H19N3/c1-3-4-7-12(2)18-16-10-13(11-17)14-8-5-6-9-15(14)19-16/h5-6,8-10,12H,3-4,7H2,1-2H3,(H,18,19)
InChIKeyHCDXSJDEZAADEV-UHFFFAOYSA-N
XLogP4.10
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-methylsulfanylbutan-2-ylamino)quinoline-4-carbonitrile
CID 115637714
2-(4-methylpentan-2-ylamino)quinoline-4-carbonitrile
CID 63884068
2-[(1-hydroxy-3-methylbutan-2-yl)amino]quinoline-4-carbonitrile
CID 79249281
2-(heptan-2-ylamino)quinoline-4-carboxylic acid
CID 63539339
2-(1-imidazol-1-ylpropan-2-ylamino)quinoline-4-carbonitrile
CID 63884271
2-(1-cyclopropylethylamino)quinoline-4-carbonitrile
CID 63884847
2-[(4-cyanoquinolin-2-yl)amino]-N-methylpropanamide
CID 63886397
2-(1-cyclobutylethylamino)quinoline-4-carbonitrile
CID 115766655
2-(2,3,3-trimethylbutylamino)quinoline-4-carbonitrile
CID 83142408
2-anilinoquinoline-4-carbonitrile
CID 63884486
2-[(2,2,3,3-tetramethylcyclopropyl)methylamino]quinoline-4-carbonitrile
CID 79361457
2-[3-(hydroxymethyl)pentan-3-ylamino]quinoline-4-carbonitrile
CID 63884076

Frequently Asked Questions

What is the IUPAC name of 2-(hexan-2-ylamino)quinoline-4-carbonitrile?
The IUPAC name of 2-(hexan-2-ylamino)quinoline-4-carbonitrile (CID 63886594) is 2-(hexan-2-ylamino)quinoline-4-carbonitrile.
What is the SMILES notation for 2-(hexan-2-ylamino)quinoline-4-carbonitrile?
The canonical SMILES for 2-(hexan-2-ylamino)quinoline-4-carbonitrile is CCCCC(C)Nc1cc(C#N)c2ccccc2n1.
What is the InChIKey of 2-(hexan-2-ylamino)quinoline-4-carbonitrile?
The InChIKey is HCDXSJDEZAADEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3/c1-3-4-7-12(2)18-16-10-13(11-17)14-8-5-6-9-15(14)19-16/h5-6,8-10,12H,3-4,7H2,1-2H3,(H,18,19).
What are the key properties of 2-(hexan-2-ylamino)quinoline-4-carbonitrile?
2-(hexan-2-ylamino)quinoline-4-carbonitrile has a molecular weight of 253.35 g/mol, XLogP of 4.10, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hexan-2-ylamino)quinoline-4-carbonitrile is sourced from PubChem (CID 63886594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).