4-[4-(2-methoxyacetyl)piperazin-1-yl]quinoline-2-carbonitrile

C17H18N4O2 — CID 133317978

IUPAC4-[4-(2-methoxyacetyl)piperazin-1-yl]quinoline-2-carbonitrile
SMILESCOCC(=O)N1CCN(c2cc(C#N)nc3ccccc23)CC1
InChIInChI=1S/C17H18N4O2/c1-23-12-17(22)21-8-6-20(7-9-21)16-10-13(11-18)19-15-5-3-2-4-14(15)16/h2-5,10H,6-9,12H2,1H3
InChIKeyFKIFDBPCKDRXHG-UHFFFAOYSA-N
MW310.36 g/mol
LogP1.40
Rot. Bonds3

About 4-[4-(2-methoxyacetyl)piperazin-1-yl]quinoline-2-carbonitrile

4-[4-(2-methoxyacetyl)piperazin-1-yl]quinoline-2-carbonitrile (PubChem CID 133317978) has the molecular formula C17H18N4O2 and a molecular weight of 310.36 g/mol. Its IUPAC name is 4-[4-(2-methoxyacetyl)piperazin-1-yl]quinoline-2-carbonitrile.

Molecular Properties

Compound Name4-[4-(2-methoxyacetyl)piperazin-1-yl]quinoline-2-carbonitrile
PubChem CID133317978
Molecular FormulaC17H18N4O2
Molecular Weight310.36 g/mol
Exact Mass310.14
IUPAC Name4-[4-(2-methoxyacetyl)piperazin-1-yl]quinoline-2-carbonitrile
SMILESCOCC(=O)N1CCN(c2cc(C#N)nc3ccccc23)CC1
InChIInChI=1S/C17H18N4O2/c1-23-12-17(22)21-8-6-20(7-9-21)16-10-13(11-18)19-15-5-3-2-4-14(15)16/h2-5,10H,6-9,12H2,1H3
InChIKeyFKIFDBPCKDRXHG-UHFFFAOYSA-N
XLogP1.40
TPSA69.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[4-(2-methoxyethoxy)piperidin-1-yl]quinoline-2-carbonitrile
CID 133448513
4-[4-(4-chlorobenzoyl)piperazin-1-yl]quinoline-2-carbonitrile
CID 133316552
4-[4-(3-methoxypropylsulfonyl)piperazin-1-yl]quinoline-2-carbonitrile
CID 133387064
2-[4-(2-cyanoquinolin-4-yl)piperazin-1-yl]-N-ethylacetamide
CID 133316675
4-[4-(4-fluorobenzoyl)-1,4-diazepan-1-yl]quinoline-2-carbonitrile
CID 133306230
4-[(1R,3R)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]quinoline-2-carbonitrile
CID 97218063
4-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)-1,4-diazepan-1-yl]quinoline-2-carbonitrile
CID 133334912
4-(4-pyridin-3-ylsulfonylpiperazin-1-yl)quinoline-2-carbonitrile
CID 133310521
4-(1,3,3a,4,7,7a-hexahydroisoindol-2-yl)quinoline-2-carbonitrile
CID 133322880
2-methoxy-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone
CID 60637810
4-(3-cyclobutylpiperidin-1-yl)quinoline-2-carbonitrile
CID 166333218
2-methoxy-1-[4-[3-(2-nitrophenyl)-[1,2,4]triazolo[4,3-c]quinazolin-5-yl]piperazin-1-yl]ethanone
CID 46064035

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-methoxyacetyl)piperazin-1-yl]quinoline-2-carbonitrile?
The IUPAC name of 4-[4-(2-methoxyacetyl)piperazin-1-yl]quinoline-2-carbonitrile (CID 133317978) is 4-[4-(2-methoxyacetyl)piperazin-1-yl]quinoline-2-carbonitrile.
What is the SMILES notation for 4-[4-(2-methoxyacetyl)piperazin-1-yl]quinoline-2-carbonitrile?
The canonical SMILES for 4-[4-(2-methoxyacetyl)piperazin-1-yl]quinoline-2-carbonitrile is COCC(=O)N1CCN(c2cc(C#N)nc3ccccc23)CC1.
What is the InChIKey of 4-[4-(2-methoxyacetyl)piperazin-1-yl]quinoline-2-carbonitrile?
The InChIKey is FKIFDBPCKDRXHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2/c1-23-12-17(22)21-8-6-20(7-9-21)16-10-13(11-18)19-15-5-3-2-4-14(15)16/h2-5,10H,6-9,12H2,1H3.
What are the key properties of 4-[4-(2-methoxyacetyl)piperazin-1-yl]quinoline-2-carbonitrile?
4-[4-(2-methoxyacetyl)piperazin-1-yl]quinoline-2-carbonitrile has a molecular weight of 310.36 g/mol, XLogP of 1.40, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-methoxyacetyl)piperazin-1-yl]quinoline-2-carbonitrile is sourced from PubChem (CID 133317978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).