2-(1-imidazol-1-ylpropan-2-ylamino)quinoline-4-carbonitrile

C16H15N5 — CID 63884271

IUPAC2-(1-imidazol-1-ylpropan-2-ylamino)quinoline-4-carbonitrile
SMILESCC(Cn1ccnc1)Nc1cc(C#N)c2ccccc2n1
InChIInChI=1S/C16H15N5/c1-12(10-21-7-6-18-11-21)19-16-8-13(9-17)14-4-2-3-5-15(14)20-16/h2-8,11-12H,10H2,1H3,(H,19,20)
InChIKeyDGPIOQGLLQNGRG-UHFFFAOYSA-N
MW277.33 g/mol
LogP2.80
Rot. Bonds4

About 2-(1-imidazol-1-ylpropan-2-ylamino)quinoline-4-carbonitrile

2-(1-imidazol-1-ylpropan-2-ylamino)quinoline-4-carbonitrile (PubChem CID 63884271) has the molecular formula C16H15N5 and a molecular weight of 277.33 g/mol. Its IUPAC name is 2-(1-imidazol-1-ylpropan-2-ylamino)quinoline-4-carbonitrile.

Molecular Properties

Compound Name2-(1-imidazol-1-ylpropan-2-ylamino)quinoline-4-carbonitrile
PubChem CID63884271
Molecular FormulaC16H15N5
Molecular Weight277.33 g/mol
Exact Mass277.13
IUPAC Name2-(1-imidazol-1-ylpropan-2-ylamino)quinoline-4-carbonitrile
SMILESCC(Cn1ccnc1)Nc1cc(C#N)c2ccccc2n1
InChIInChI=1S/C16H15N5/c1-12(10-21-7-6-18-11-21)19-16-8-13(9-17)14-4-2-3-5-15(14)20-16/h2-8,11-12H,10H2,1H3,(H,19,20)
InChIKeyDGPIOQGLLQNGRG-UHFFFAOYSA-N
XLogP2.80
TPSA66.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-methylpentan-2-ylamino)quinoline-4-carbonitrile
CID 63884068
2-(hexan-2-ylamino)quinoline-4-carbonitrile
CID 63886594
2-(4-methylsulfanylbutan-2-ylamino)quinoline-4-carbonitrile
CID 115637714
4-bromo-2-(1-imidazol-1-ylpropan-2-ylamino)benzonitrile
CID 114901585
2-[(1-hydroxy-3-methylbutan-2-yl)amino]quinoline-4-carbonitrile
CID 79249281
1-imidazol-1-yl-N-[(2-methylquinolin-4-yl)methyl]propan-2-amine
CID 78943044
2-(1-cyclopropylethylamino)quinoline-4-carbonitrile
CID 63884847
2-(1-imidazol-1-ylpropan-2-ylamino)-6-methylpyridine-4-carboxylic acid
CID 113378590
2-(1-cyclobutylethylamino)quinoline-4-carbonitrile
CID 115766655
2-[(4-cyanoquinolin-2-yl)amino]-N-methylpropanamide
CID 63886397
2-[2-(1-methylpyrazol-3-yl)ethylamino]quinoline-4-carbonitrile
CID 104626534
6-chloro-4-N-(1-imidazol-1-ylpropan-2-yl)pyrimidine-2,4-diamine
CID 80736024

Frequently Asked Questions

What is the IUPAC name of 2-(1-imidazol-1-ylpropan-2-ylamino)quinoline-4-carbonitrile?
The IUPAC name of 2-(1-imidazol-1-ylpropan-2-ylamino)quinoline-4-carbonitrile (CID 63884271) is 2-(1-imidazol-1-ylpropan-2-ylamino)quinoline-4-carbonitrile.
What is the SMILES notation for 2-(1-imidazol-1-ylpropan-2-ylamino)quinoline-4-carbonitrile?
The canonical SMILES for 2-(1-imidazol-1-ylpropan-2-ylamino)quinoline-4-carbonitrile is CC(Cn1ccnc1)Nc1cc(C#N)c2ccccc2n1.
What is the InChIKey of 2-(1-imidazol-1-ylpropan-2-ylamino)quinoline-4-carbonitrile?
The InChIKey is DGPIOQGLLQNGRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5/c1-12(10-21-7-6-18-11-21)19-16-8-13(9-17)14-4-2-3-5-15(14)20-16/h2-8,11-12H,10H2,1H3,(H,19,20).
What are the key properties of 2-(1-imidazol-1-ylpropan-2-ylamino)quinoline-4-carbonitrile?
2-(1-imidazol-1-ylpropan-2-ylamino)quinoline-4-carbonitrile has a molecular weight of 277.33 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-imidazol-1-ylpropan-2-ylamino)quinoline-4-carbonitrile is sourced from PubChem (CID 63884271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).