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

C16H19N3O — CID 133352700

IUPAC4-[(2-hydroxy-3-methylpentyl)amino]quinoline-2-carbonitrile
SMILESCCC(C)C(O)CNc1cc(C#N)nc2ccccc12
InChIInChI=1S/C16H19N3O/c1-3-11(2)16(20)10-18-15-8-12(9-17)19-14-7-5-4-6-13(14)15/h4-8,11,16,20H,3,10H2,1-2H3,(H,18,19)
InChIKeyZMNXCVMSRUMYFV-UHFFFAOYSA-N
MW269.35 g/mol
LogP2.93
Rot. Bonds5

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

4-[(2-hydroxy-3-methylpentyl)amino]quinoline-2-carbonitrile (PubChem CID 133352700) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is 4-[(2-hydroxy-3-methylpentyl)amino]quinoline-2-carbonitrile.

Molecular Properties

Compound Name4-[(2-hydroxy-3-methylpentyl)amino]quinoline-2-carbonitrile
PubChem CID133352700
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC Name4-[(2-hydroxy-3-methylpentyl)amino]quinoline-2-carbonitrile
SMILESCCC(C)C(O)CNc1cc(C#N)nc2ccccc12
InChIInChI=1S/C16H19N3O/c1-3-11(2)16(20)10-18-15-8-12(9-17)19-14-7-5-4-6-13(14)15/h4-8,11,16,20H,3,10H2,1-2H3,(H,18,19)
InChIKeyZMNXCVMSRUMYFV-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

3-[(2-cyanoquinolin-4-yl)amino]-2,2-dimethylpropanamide
CID 133318102
4-[1-(4-cyanophenyl)ethylamino]quinoline-2-carbonitrile
CID 133310735
N-[1-[(2-cyanoquinolin-4-yl)amino]-2-methylpropan-2-yl]methanesulfonamide
CID 133321544
4-[(2-ethoxy-4-pyridinyl)methylamino]quinoline-2-carbonitrile
CID 133316749
5-[(2-ethylquinolin-4-yl)amino]-4-methylpentan-2-ol
CID 133402239
4-[[1-(2-hydroxyethyl)cyclobutyl]methylamino]quinoline-2-carbonitrile
CID 133376100
3-[[(2-cyanoquinolin-4-yl)amino]methyl]-N-ethylbenzamide
CID 133317053
4-(4-hydroxy-3-methylanilino)quinoline-2-carbonitrile
CID 146507150
4-[[1-(2-ethylbutanoyl)piperidin-4-yl]amino]quinoline-2-carbonitrile
CID 133319418
4-[2-[(3-methoxyphenyl)methoxy]ethylamino]quinoline-2-carbonitrile
CID 133390220
4-[3-(1-methylbenzimidazol-2-yl)propylamino]quinoline-2-carbonitrile
CID 133346689
4-[2-(dimethylamino)propylamino]quinoline-2-carboxylic acid
CID 63377739

Frequently Asked Questions

What is the IUPAC name of 4-[(2-hydroxy-3-methylpentyl)amino]quinoline-2-carbonitrile?
The IUPAC name of 4-[(2-hydroxy-3-methylpentyl)amino]quinoline-2-carbonitrile (CID 133352700) is 4-[(2-hydroxy-3-methylpentyl)amino]quinoline-2-carbonitrile.
What is the SMILES notation for 4-[(2-hydroxy-3-methylpentyl)amino]quinoline-2-carbonitrile?
The canonical SMILES for 4-[(2-hydroxy-3-methylpentyl)amino]quinoline-2-carbonitrile is CCC(C)C(O)CNc1cc(C#N)nc2ccccc12.
What is the InChIKey of 4-[(2-hydroxy-3-methylpentyl)amino]quinoline-2-carbonitrile?
The InChIKey is ZMNXCVMSRUMYFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c1-3-11(2)16(20)10-18-15-8-12(9-17)19-14-7-5-4-6-13(14)15/h4-8,11,16,20H,3,10H2,1-2H3,(H,18,19).
What are the key properties of 4-[(2-hydroxy-3-methylpentyl)amino]quinoline-2-carbonitrile?
4-[(2-hydroxy-3-methylpentyl)amino]quinoline-2-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 4-[(2-hydroxy-3-methylpentyl)amino]quinoline-2-carbonitrile is sourced from PubChem (CID 133352700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).