2-(4-quinolin-4-ylpiperazin-1-yl)butanenitrile

C17H20N4 — CID 63343798

IUPAC2-(4-quinolin-4-ylpiperazin-1-yl)butanenitrile
SMILESCCC(C#N)N1CCN(c2ccnc3ccccc23)CC1
InChIInChI=1S/C17H20N4/c1-2-14(13-18)20-9-11-21(12-10-20)17-7-8-19-16-6-4-3-5-15(16)17/h3-8,14H,2,9-12H2,1H3
InChIKeyGASXTMQYZHMTAW-UHFFFAOYSA-N
MW280.38 g/mol
LogP2.66
Rot. Bonds3

About 2-(4-quinolin-4-ylpiperazin-1-yl)butanenitrile

2-(4-quinolin-4-ylpiperazin-1-yl)butanenitrile (PubChem CID 63343798) has the molecular formula C17H20N4 and a molecular weight of 280.38 g/mol. Its IUPAC name is 2-(4-quinolin-4-ylpiperazin-1-yl)butanenitrile.

Molecular Properties

Compound Name2-(4-quinolin-4-ylpiperazin-1-yl)butanenitrile
PubChem CID63343798
Molecular FormulaC17H20N4
Molecular Weight280.38 g/mol
Exact Mass280.17
IUPAC Name2-(4-quinolin-4-ylpiperazin-1-yl)butanenitrile
SMILESCCC(C#N)N1CCN(c2ccnc3ccccc23)CC1
InChIInChI=1S/C17H20N4/c1-2-14(13-18)20-9-11-21(12-10-20)17-7-8-19-16-6-4-3-5-15(16)17/h3-8,14H,2,9-12H2,1H3
InChIKeyGASXTMQYZHMTAW-UHFFFAOYSA-N
XLogP2.66
TPSA43.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.38
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-quinolin-4-ylpiperazin-1-yl)acetonitrile
CID 63337323
2-[4-(3-bromo-2-pyridinyl)piperazin-1-yl]butanenitrile
CID 63343842
2-(4-phthalazin-1-ylpiperazin-1-yl)butanenitrile
CID 63344110
4-[4-[(1S)-1-pyridin-3-ylethyl]piperazin-1-yl]quinoline
CID 124885067
N-propan-2-yl-2-(4-quinolin-4-ylpiperazin-1-yl)propanamide
CID 155975244
2-(4-quinolin-4-ylpiperazin-1-yl)ethanamine
CID 61340442
5-chloro-2-[4-(1-cyanopropyl)piperazin-1-yl]benzonitrile
CID 63343941
3-[4-(1-cyanopropyl)piperazin-1-yl]pyrazine-2-carbonitrile
CID 63343981
1-quinolin-4-ylpiperidin-4-one
CID 22000285
1-(1-quinolin-4-ylpiperidin-4-yl)ethanone
CID 63845490
2-[4-(2,1-benzothiazol-3-yl)piperazin-1-yl]pentanenitrile
CID 66356553
2-[4-(1-cyanopropyl)piperazin-1-yl]pyridine-3-carboxamide
CID 63343846

Frequently Asked Questions

What is the IUPAC name of 2-(4-quinolin-4-ylpiperazin-1-yl)butanenitrile?
The IUPAC name of 2-(4-quinolin-4-ylpiperazin-1-yl)butanenitrile (CID 63343798) is 2-(4-quinolin-4-ylpiperazin-1-yl)butanenitrile.
What is the SMILES notation for 2-(4-quinolin-4-ylpiperazin-1-yl)butanenitrile?
The canonical SMILES for 2-(4-quinolin-4-ylpiperazin-1-yl)butanenitrile is CCC(C#N)N1CCN(c2ccnc3ccccc23)CC1.
What is the InChIKey of 2-(4-quinolin-4-ylpiperazin-1-yl)butanenitrile?
The InChIKey is GASXTMQYZHMTAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4/c1-2-14(13-18)20-9-11-21(12-10-20)17-7-8-19-16-6-4-3-5-15(16)17/h3-8,14H,2,9-12H2,1H3.
What are the key properties of 2-(4-quinolin-4-ylpiperazin-1-yl)butanenitrile?
2-(4-quinolin-4-ylpiperazin-1-yl)butanenitrile has a molecular weight of 280.38 g/mol, XLogP of 2.66, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-quinolin-4-ylpiperazin-1-yl)butanenitrile is sourced from PubChem (CID 63343798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).