2-[4-(2-cyanoquinolin-4-yl)piperazin-1-yl]-N-ethylacetamide

C18H21N5O — CID 133316675

IUPAC2-[4-(2-cyanoquinolin-4-yl)piperazin-1-yl]-N-ethylacetamide
SMILESCCNC(=O)CN1CCN(c2cc(C#N)nc3ccccc23)CC1
InChIInChI=1S/C18H21N5O/c1-2-20-18(24)13-22-7-9-23(10-8-22)17-11-14(12-19)21-16-6-4-3-5-15(16)17/h3-6,11H,2,7-10,13H2,1H3,(H,20,24)
InChIKeyFFMXSLUFZNOTHT-UHFFFAOYSA-N
MW323.40 g/mol
LogP1.36
Rot. Bonds4

About 2-[4-(2-cyanoquinolin-4-yl)piperazin-1-yl]-N-ethylacetamide

2-[4-(2-cyanoquinolin-4-yl)piperazin-1-yl]-N-ethylacetamide (PubChem CID 133316675) has the molecular formula C18H21N5O and a molecular weight of 323.40 g/mol. Its IUPAC name is 2-[4-(2-cyanoquinolin-4-yl)piperazin-1-yl]-N-ethylacetamide.

Molecular Properties

Compound Name2-[4-(2-cyanoquinolin-4-yl)piperazin-1-yl]-N-ethylacetamide
PubChem CID133316675
Molecular FormulaC18H21N5O
Molecular Weight323.40 g/mol
Exact Mass323.17
IUPAC Name2-[4-(2-cyanoquinolin-4-yl)piperazin-1-yl]-N-ethylacetamide
SMILESCCNC(=O)CN1CCN(c2cc(C#N)nc3ccccc23)CC1
InChIInChI=1S/C18H21N5O/c1-2-20-18(24)13-22-7-9-23(10-8-22)17-11-14(12-19)21-16-6-4-3-5-15(16)17/h3-6,11H,2,7-10,13H2,1H3,(H,20,24)
InChIKeyFFMXSLUFZNOTHT-UHFFFAOYSA-N
XLogP1.36
TPSA72.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[4-(2-methoxyacetyl)piperazin-1-yl]quinoline-2-carbonitrile
CID 133317978
4-[4-(4-chlorobenzoyl)piperazin-1-yl]quinoline-2-carbonitrile
CID 133316552
4-[4-(2-methoxyethoxy)piperidin-1-yl]quinoline-2-carbonitrile
CID 133448513
N-benzyl-2-[4-(6-cyano-3-pyridinyl)piperazin-1-yl]acetamide
CID 133369980
N-benzyl-2-[4-(4-methylquinolin-2-yl)piperazin-1-yl]acetamide
CID 51323012
4-[4-(4-fluorobenzoyl)-1,4-diazepan-1-yl]quinoline-2-carbonitrile
CID 133306230
4-[4-(3-methoxypropylsulfonyl)piperazin-1-yl]quinoline-2-carbonitrile
CID 133387064
4-[4-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]quinoline-2-carbonitrile
CID 133310452
4-[(1R,3R)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]quinoline-2-carbonitrile
CID 97218063
N-ethyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 27104437
1-[4-(4-ethylpiperazin-1-yl)quinolin-2-yl]-N-methylmethanamine
CID 63374122
4-[4-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]quinoline-2-carbonitrile
CID 133395785

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-cyanoquinolin-4-yl)piperazin-1-yl]-N-ethylacetamide?
The IUPAC name of 2-[4-(2-cyanoquinolin-4-yl)piperazin-1-yl]-N-ethylacetamide (CID 133316675) is 2-[4-(2-cyanoquinolin-4-yl)piperazin-1-yl]-N-ethylacetamide.
What is the SMILES notation for 2-[4-(2-cyanoquinolin-4-yl)piperazin-1-yl]-N-ethylacetamide?
The canonical SMILES for 2-[4-(2-cyanoquinolin-4-yl)piperazin-1-yl]-N-ethylacetamide is CCNC(=O)CN1CCN(c2cc(C#N)nc3ccccc23)CC1.
What is the InChIKey of 2-[4-(2-cyanoquinolin-4-yl)piperazin-1-yl]-N-ethylacetamide?
The InChIKey is FFMXSLUFZNOTHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O/c1-2-20-18(24)13-22-7-9-23(10-8-22)17-11-14(12-19)21-16-6-4-3-5-15(16)17/h3-6,11H,2,7-10,13H2,1H3,(H,20,24).
What are the key properties of 2-[4-(2-cyanoquinolin-4-yl)piperazin-1-yl]-N-ethylacetamide?
2-[4-(2-cyanoquinolin-4-yl)piperazin-1-yl]-N-ethylacetamide has a molecular weight of 323.40 g/mol, XLogP of 1.36, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-cyanoquinolin-4-yl)piperazin-1-yl]-N-ethylacetamide is sourced from PubChem (CID 133316675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).