2-[(2-hydroxy-4-methylpentyl)amino]quinoline-3-carbonitrile

C16H19N3O — CID 103736444

IUPAC2-[(2-hydroxy-4-methylpentyl)amino]quinoline-3-carbonitrile
SMILESCC(C)CC(O)CNc1nc2ccccc2cc1C#N
InChIInChI=1S/C16H19N3O/c1-11(2)7-14(20)10-18-16-13(9-17)8-12-5-3-4-6-15(12)19-16/h3-6,8,11,14,20H,7,10H2,1-2H3,(H,18,19)
InChIKeyUVSPVGBOSDCECG-UHFFFAOYSA-N
MW269.35 g/mol
LogP2.93
Rot. Bonds5

About 2-[(2-hydroxy-4-methylpentyl)amino]quinoline-3-carbonitrile

2-[(2-hydroxy-4-methylpentyl)amino]quinoline-3-carbonitrile (PubChem CID 103736444) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is 2-[(2-hydroxy-4-methylpentyl)amino]quinoline-3-carbonitrile.

Molecular Properties

Compound Name2-[(2-hydroxy-4-methylpentyl)amino]quinoline-3-carbonitrile
PubChem CID103736444
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC Name2-[(2-hydroxy-4-methylpentyl)amino]quinoline-3-carbonitrile
SMILESCC(C)CC(O)CNc1nc2ccccc2cc1C#N
InChIInChI=1S/C16H19N3O/c1-11(2)7-14(20)10-18-16-13(9-17)8-12-5-3-4-6-15(12)19-16/h3-6,8,11,14,20H,7,10H2,1-2H3,(H,18,19)
InChIKeyUVSPVGBOSDCECG-UHFFFAOYSA-N
XLogP2.93
TPSA68.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]quinoline-3-carbonitrile
CID 79250182
2-(hydroxyamino)quinoline-3-carbonitrile
CID 130500627
2-[(4-methylphenyl)methylamino]quinoline-3-carbonitrile
CID 62090812
3-[(3-cyanoquinolin-2-yl)amino]-2,2-dimethylpropanamide
CID 103736415
N-tert-butyl-2-[(3-cyanoquinolin-2-yl)amino]acetamide
CID 79834245
2-[(2-methylcyclopropyl)methylamino]quinoline-3-carbonitrile
CID 113463859
2-[(2-chlorophenyl)methylamino]quinoline-3-carbonitrile
CID 62090102
2-[(2-hydroxycyclohexyl)methylamino]quinoline-3-carbonitrile
CID 64911454
4-chloro-2-[(2-hydroxy-4-methylpentyl)amino]benzonitrile
CID 113238789
2-[2-(1,2,4-oxadiazol-5-yl)ethylamino]quinoline-3-carbonitrile
CID 103744384
2-(1,2-oxazol-5-ylmethylamino)quinoline-3-carbonitrile
CID 106417712
2-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]quinoline-3-carbonitrile
CID 106102239

Frequently Asked Questions

What is the IUPAC name of 2-[(2-hydroxy-4-methylpentyl)amino]quinoline-3-carbonitrile?
The IUPAC name of 2-[(2-hydroxy-4-methylpentyl)amino]quinoline-3-carbonitrile (CID 103736444) is 2-[(2-hydroxy-4-methylpentyl)amino]quinoline-3-carbonitrile.
What is the SMILES notation for 2-[(2-hydroxy-4-methylpentyl)amino]quinoline-3-carbonitrile?
The canonical SMILES for 2-[(2-hydroxy-4-methylpentyl)amino]quinoline-3-carbonitrile is CC(C)CC(O)CNc1nc2ccccc2cc1C#N.
What is the InChIKey of 2-[(2-hydroxy-4-methylpentyl)amino]quinoline-3-carbonitrile?
The InChIKey is UVSPVGBOSDCECG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c1-11(2)7-14(20)10-18-16-13(9-17)8-12-5-3-4-6-15(12)19-16/h3-6,8,11,14,20H,7,10H2,1-2H3,(H,18,19).
What are the key properties of 2-[(2-hydroxy-4-methylpentyl)amino]quinoline-3-carbonitrile?
2-[(2-hydroxy-4-methylpentyl)amino]quinoline-3-carbonitrile has a molecular weight of 269.35 g/mol, XLogP of 2.93, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-hydroxy-4-methylpentyl)amino]quinoline-3-carbonitrile is sourced from PubChem (CID 103736444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).