4-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]quinoline-3-carbonitrile

C17H20N4O — CID 133486256

IUPAC4-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]quinoline-3-carbonitrile
SMILESC[C@@H](O)CN1CCN(c2c(C#N)cnc3ccccc23)CC1
InChIInChI=1S/C17H20N4O/c1-13(22)12-20-6-8-21(9-7-20)17-14(10-18)11-19-16-5-3-2-4-15(16)17/h2-5,11,13,22H,6-9,12H2,1H3/t13-/m1/s1
InChIKeyQGQBGFPMXKIJSA-CYBMUJFWSA-N
MW296.37 g/mol
LogP1.61
Rot. Bonds3

About 4-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]quinoline-3-carbonitrile

4-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]quinoline-3-carbonitrile (PubChem CID 133486256) has the molecular formula C17H20N4O and a molecular weight of 296.37 g/mol. Its IUPAC name is 4-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]quinoline-3-carbonitrile.

Molecular Properties

Compound Name4-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]quinoline-3-carbonitrile
PubChem CID133486256
Molecular FormulaC17H20N4O
Molecular Weight296.37 g/mol
Exact Mass296.16
IUPAC Name4-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]quinoline-3-carbonitrile
SMILESC[C@@H](O)CN1CCN(c2c(C#N)cnc3ccccc23)CC1
InChIInChI=1S/C17H20N4O/c1-13(22)12-20-6-8-21(9-7-20)17-14(10-18)11-19-16-5-3-2-4-15(16)17/h2-5,11,13,22H,6-9,12H2,1H3/t13-/m1/s1
InChIKeyQGQBGFPMXKIJSA-CYBMUJFWSA-N
XLogP1.61
TPSA63.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4-propyl-1,4-diazepan-1-yl)quinoline-3-carbonitrile
CID 133342726
4-(4-methyl-1,4-diazepan-1-yl)quinoline-3-carbonitrile
CID 43669097
4-[4-(4-fluorophenyl)piperazin-1-yl]quinoline-3-carbonitrile
CID 78885767
4-(1,1-dioxo-1,4-thiazinan-4-yl)quinoline-3-carbonitrile
CID 43669154
2-[1-(3-cyanoquinolin-4-yl)azetidin-3-yl]propanoic acid
CID 116681957
4-[4-(6-methylpyrazin-2-yl)piperazin-1-yl]quinoline-3-carbonitrile
CID 133469371
4-(4-ethoxypiperidin-1-yl)quinoline-3-carbonitrile
CID 61217907
4-[4-(3-imidazol-1-ylpropyl)piperazin-1-yl]quinoline-3-carbonitrile
CID 84598886
4-(4,4-dimethylazepan-1-yl)quinoline-3-carbonitrile
CID 65281204
(2R)-1-[4-(3-ethyl-2-methylquinolin-4-yl)piperazin-1-yl]propan-2-ol
CID 133499647
4-(3-methylpiperazin-1-yl)quinoline-3-carbonitrile
CID 55076424
4-(4-ethenylpiperidin-1-yl)quinoline-3-carbonitrile
CID 133321761

Frequently Asked Questions

What is the IUPAC name of 4-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]quinoline-3-carbonitrile?
The IUPAC name of 4-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]quinoline-3-carbonitrile (CID 133486256) is 4-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]quinoline-3-carbonitrile.
What is the SMILES notation for 4-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]quinoline-3-carbonitrile?
The canonical SMILES for 4-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]quinoline-3-carbonitrile is C[C@@H](O)CN1CCN(c2c(C#N)cnc3ccccc23)CC1.
What is the InChIKey of 4-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]quinoline-3-carbonitrile?
The InChIKey is QGQBGFPMXKIJSA-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H20N4O/c1-13(22)12-20-6-8-21(9-7-20)17-14(10-18)11-19-16-5-3-2-4-15(16)17/h2-5,11,13,22H,6-9,12H2,1H3/t13-/m1/s1.
What are the key properties of 4-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]quinoline-3-carbonitrile?
4-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]quinoline-3-carbonitrile has a molecular weight of 296.37 g/mol, XLogP of 1.61, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]quinoline-3-carbonitrile is sourced from PubChem (CID 133486256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).