2-(2-morpholin-4-ylethylamino)quinoline-4-carbonitrile

C16H18N4O — CID 63885427

IUPAC2-(2-morpholin-4-ylethylamino)quinoline-4-carbonitrile
SMILESN#Cc1cc(NCCN2CCOCC2)nc2ccccc12
InChIInChI=1S/C16H18N4O/c17-12-13-11-16(19-15-4-2-1-3-14(13)15)18-5-6-20-7-9-21-10-8-20/h1-4,11H,5-10H2,(H,18,19)
InChIKeyZPVPYDOQXQEALY-UHFFFAOYSA-N
MW282.35 g/mol
LogP1.85
Rot. Bonds4

About 2-(2-morpholin-4-ylethylamino)quinoline-4-carbonitrile

2-(2-morpholin-4-ylethylamino)quinoline-4-carbonitrile (PubChem CID 63885427) has the molecular formula C16H18N4O and a molecular weight of 282.35 g/mol. Its IUPAC name is 2-(2-morpholin-4-ylethylamino)quinoline-4-carbonitrile.

Molecular Properties

Compound Name2-(2-morpholin-4-ylethylamino)quinoline-4-carbonitrile
PubChem CID63885427
Molecular FormulaC16H18N4O
Molecular Weight282.35 g/mol
Exact Mass282.15
IUPAC Name2-(2-morpholin-4-ylethylamino)quinoline-4-carbonitrile
SMILESN#Cc1cc(NCCN2CCOCC2)nc2ccccc12
InChIInChI=1S/C16H18N4O/c17-12-13-11-16(19-15-4-2-1-3-14(13)15)18-5-6-20-7-9-21-10-8-20/h1-4,11H,5-10H2,(H,18,19)
InChIKeyZPVPYDOQXQEALY-UHFFFAOYSA-N
XLogP1.85
TPSA61.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-morpholin-4-ylethyl)-2,6-diphenylpyrimidin-4-amine
CID 59340658
2-(2-morpholin-4-ylethylamino)benzimidazolo[1,2-a][1,8]naphthyridine-6-carbonitrile
CID 118509849
2-(oxan-4-ylamino)quinoline-4-carbonitrile
CID 63885816
2-(3-methylsulfinylpropylamino)quinoline-4-carbonitrile
CID 115637217
2-[2-(cyclopenten-1-yl)ethylamino]quinoline-4-carbonitrile
CID 103844235
2-[2-(1-methylpyrazol-3-yl)ethylamino]quinoline-4-carbonitrile
CID 104626534
2-[[6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]amino]benzonitrile
CID 112857711
2-[2-(trifluoromethylsulfanyl)ethylamino]quinoline-4-carbonitrile
CID 102809256
2-(3-cyclopentylpropylamino)quinoline-4-carbonitrile
CID 106011499
2-methyl-6-N-(2-morpholin-4-ylethyl)-4-N-phenylpyrimidine-4,6-diamine
CID 112870421
2-[[(2S)-2-(4-ethylpiperazin-1-yl)propyl]amino]quinoline-4-carbonitrile
CID 96528544
2-[(4-methylpiperazin-1-yl)amino]quinoline-4-carbonitrile
CID 83015311

Frequently Asked Questions

What is the IUPAC name of 2-(2-morpholin-4-ylethylamino)quinoline-4-carbonitrile?
The IUPAC name of 2-(2-morpholin-4-ylethylamino)quinoline-4-carbonitrile (CID 63885427) is 2-(2-morpholin-4-ylethylamino)quinoline-4-carbonitrile.
What is the SMILES notation for 2-(2-morpholin-4-ylethylamino)quinoline-4-carbonitrile?
The canonical SMILES for 2-(2-morpholin-4-ylethylamino)quinoline-4-carbonitrile is N#Cc1cc(NCCN2CCOCC2)nc2ccccc12.
What is the InChIKey of 2-(2-morpholin-4-ylethylamino)quinoline-4-carbonitrile?
The InChIKey is ZPVPYDOQXQEALY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O/c17-12-13-11-16(19-15-4-2-1-3-14(13)15)18-5-6-20-7-9-21-10-8-20/h1-4,11H,5-10H2,(H,18,19).
What are the key properties of 2-(2-morpholin-4-ylethylamino)quinoline-4-carbonitrile?
2-(2-morpholin-4-ylethylamino)quinoline-4-carbonitrile has a molecular weight of 282.35 g/mol, XLogP of 1.85, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-morpholin-4-ylethylamino)quinoline-4-carbonitrile is sourced from PubChem (CID 63885427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).