2-(1-hydroxypropyl)quinoline-4-carbonitrile

C13H12N2O — CID 119091572

IUPAC2-(1-hydroxypropyl)quinoline-4-carbonitrile
SMILESCCC(O)c1cc(C#N)c2ccccc2n1
InChIInChI=1S/C13H12N2O/c1-2-13(16)12-7-9(8-14)10-5-3-4-6-11(10)15-12/h3-7,13,16H,2H2,1H3
InChIKeyYNFHIZSJCJEAJT-UHFFFAOYSA-N
MW212.25 g/mol
LogP2.55
Rot. Bonds2

About 2-(1-hydroxypropyl)quinoline-4-carbonitrile

2-(1-hydroxypropyl)quinoline-4-carbonitrile (PubChem CID 119091572) has the molecular formula C13H12N2O and a molecular weight of 212.25 g/mol. Its IUPAC name is 2-(1-hydroxypropyl)quinoline-4-carbonitrile.

Molecular Properties

Compound Name2-(1-hydroxypropyl)quinoline-4-carbonitrile
PubChem CID119091572
Molecular FormulaC13H12N2O
Molecular Weight212.25 g/mol
Exact Mass212.09
IUPAC Name2-(1-hydroxypropyl)quinoline-4-carbonitrile
SMILESCCC(O)c1cc(C#N)c2ccccc2n1
InChIInChI=1S/C13H12N2O/c1-2-13(16)12-7-9(8-14)10-5-3-4-6-11(10)15-12/h3-7,13,16H,2H2,1H3
InChIKeyYNFHIZSJCJEAJT-UHFFFAOYSA-N
XLogP2.55
TPSA56.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[butan-2-yl(methyl)amino]quinoline-4-carbonitrile
CID 63885462
2-[2-cyanopropyl(ethyl)amino]quinoline-4-carbonitrile
CID 63883864
2-(bromomethyl)quinoline-4-carbonitrile
CID 45123456
(1R)-1-(4-methylquinolin-2-yl)butan-1-ol
CID 104969389
2-(2-methylpropoxy)quinoline-4-carbonitrile
CID 57354646
3-[(4-cyanoquinolin-2-yl)-ethylamino]butanoic acid
CID 63886385
2-[3-(hydroxymethyl)pentan-3-ylamino]quinoline-4-carbonitrile
CID 63884076
2-[(1-hydroxy-3-methylbutan-2-yl)amino]quinoline-4-carbonitrile
CID 79249281
2-(hexan-2-ylamino)quinoline-4-carbonitrile
CID 63886594
2-[(4-cyanoquinolin-2-yl)amino]-2-ethylbutanoic acid
CID 79814524
2-(3-methylphenyl)sulfanylquinoline-4-carbonitrile
CID 63885867
2-(3-hydroxyphenyl)sulfanylquinoline-4-carbonitrile
CID 104590924

Frequently Asked Questions

What is the IUPAC name of 2-(1-hydroxypropyl)quinoline-4-carbonitrile?
The IUPAC name of 2-(1-hydroxypropyl)quinoline-4-carbonitrile (CID 119091572) is 2-(1-hydroxypropyl)quinoline-4-carbonitrile.
What is the SMILES notation for 2-(1-hydroxypropyl)quinoline-4-carbonitrile?
The canonical SMILES for 2-(1-hydroxypropyl)quinoline-4-carbonitrile is CCC(O)c1cc(C#N)c2ccccc2n1.
What is the InChIKey of 2-(1-hydroxypropyl)quinoline-4-carbonitrile?
The InChIKey is YNFHIZSJCJEAJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O/c1-2-13(16)12-7-9(8-14)10-5-3-4-6-11(10)15-12/h3-7,13,16H,2H2,1H3.
What are the key properties of 2-(1-hydroxypropyl)quinoline-4-carbonitrile?
2-(1-hydroxypropyl)quinoline-4-carbonitrile has a molecular weight of 212.25 g/mol, XLogP of 2.55, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-hydroxypropyl)quinoline-4-carbonitrile is sourced from PubChem (CID 119091572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).