2-[3-hydroxybutyl(methyl)amino]quinoline-3-carbonitrile

C15H17N3O — CID 115681062

IUPAC2-[3-hydroxybutyl(methyl)amino]quinoline-3-carbonitrile
SMILESCC(O)CCN(C)c1nc2ccccc2cc1C#N
InChIInChI=1S/C15H17N3O/c1-11(19)7-8-18(2)15-13(10-16)9-12-5-3-4-6-14(12)17-15/h3-6,9,11,19H,7-8H2,1-2H3
InChIKeyRDRJXFFUXZFCKD-UHFFFAOYSA-N
MW255.32 g/mol
LogP2.31
Rot. Bonds4

About 2-[3-hydroxybutyl(methyl)amino]quinoline-3-carbonitrile

2-[3-hydroxybutyl(methyl)amino]quinoline-3-carbonitrile (PubChem CID 115681062) has the molecular formula C15H17N3O and a molecular weight of 255.32 g/mol. Its IUPAC name is 2-[3-hydroxybutyl(methyl)amino]quinoline-3-carbonitrile.

Molecular Properties

Compound Name2-[3-hydroxybutyl(methyl)amino]quinoline-3-carbonitrile
PubChem CID115681062
Molecular FormulaC15H17N3O
Molecular Weight255.32 g/mol
Exact Mass255.14
IUPAC Name2-[3-hydroxybutyl(methyl)amino]quinoline-3-carbonitrile
SMILESCC(O)CCN(C)c1nc2ccccc2cc1C#N
InChIInChI=1S/C15H17N3O/c1-11(19)7-8-18(2)15-13(10-16)9-12-5-3-4-6-14(12)17-15/h3-6,9,11,19H,7-8H2,1-2H3
InChIKeyRDRJXFFUXZFCKD-UHFFFAOYSA-N
XLogP2.31
TPSA60.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[methyl(2-methylsulfanylethyl)amino]quinoline-3-carbonitrile
CID 112698455
2-[methyl(pent-4-enyl)amino]quinoline-3-carbonitrile
CID 115681023
2-[3-(dimethylamino)propyl-ethylamino]quinoline-3-carbonitrile
CID 102993201
3-(bromomethyl)-N-methyl-N-(3-methylbutyl)quinolin-2-amine
CID 107081149
4-[methyl(quinazolin-4-yl)amino]butan-2-ol
CID 115658266
2-[methyl(3-methylbutyl)amino]quinoline-4-carbonitrile
CID 63885657
5-fluoro-2-[3-hydroxybutyl(methyl)amino]benzonitrile
CID 115658291
2-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]quinoline-3-carbonitrile
CID 79250182
2-[[3-hydroxybutyl(methyl)amino]methyl]benzonitrile
CID 71988951
3-[methyl-(3-methylquinolin-2-yl)amino]propanenitrile
CID 63229008
5-amino-6-[3-hydroxybutyl(methyl)amino]pyridine-3-carbonitrile
CID 103469180
2-(hydroxymethyl)quinoline-3-carbonitrile
CID 83383623

Frequently Asked Questions

What is the IUPAC name of 2-[3-hydroxybutyl(methyl)amino]quinoline-3-carbonitrile?
The IUPAC name of 2-[3-hydroxybutyl(methyl)amino]quinoline-3-carbonitrile (CID 115681062) is 2-[3-hydroxybutyl(methyl)amino]quinoline-3-carbonitrile.
What is the SMILES notation for 2-[3-hydroxybutyl(methyl)amino]quinoline-3-carbonitrile?
The canonical SMILES for 2-[3-hydroxybutyl(methyl)amino]quinoline-3-carbonitrile is CC(O)CCN(C)c1nc2ccccc2cc1C#N.
What is the InChIKey of 2-[3-hydroxybutyl(methyl)amino]quinoline-3-carbonitrile?
The InChIKey is RDRJXFFUXZFCKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O/c1-11(19)7-8-18(2)15-13(10-16)9-12-5-3-4-6-14(12)17-15/h3-6,9,11,19H,7-8H2,1-2H3.
What are the key properties of 2-[3-hydroxybutyl(methyl)amino]quinoline-3-carbonitrile?
2-[3-hydroxybutyl(methyl)amino]quinoline-3-carbonitrile has a molecular weight of 255.32 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-hydroxybutyl(methyl)amino]quinoline-3-carbonitrile is sourced from PubChem (CID 115681062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).