N-(2-piperazin-1-ylethyl)quinoline-6-carboxamide

C16H20N4O — CID 62875225

IUPACN-(2-piperazin-1-ylethyl)quinoline-6-carboxamide
SMILESO=C(NCCN1CCNCC1)c1ccc2ncccc2c1
InChIInChI=1S/C16H20N4O/c21-16(19-8-11-20-9-6-17-7-10-20)14-3-4-15-13(12-14)2-1-5-18-15/h1-5,12,17H,6-11H2,(H,19,21)
InChIKeyGCBZDENBIKZYLX-UHFFFAOYSA-N
MW284.36 g/mol
LogP0.87
Rot. Bonds4

About N-(2-piperazin-1-ylethyl)quinoline-6-carboxamide

N-(2-piperazin-1-ylethyl)quinoline-6-carboxamide (PubChem CID 62875225) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is N-(2-piperazin-1-ylethyl)quinoline-6-carboxamide.

Molecular Properties

Compound NameN-(2-piperazin-1-ylethyl)quinoline-6-carboxamide
PubChem CID62875225
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC NameN-(2-piperazin-1-ylethyl)quinoline-6-carboxamide
SMILESO=C(NCCN1CCNCC1)c1ccc2ncccc2c1
InChIInChI=1S/C16H20N4O/c21-16(19-8-11-20-9-6-17-7-10-20)14-3-4-15-13(12-14)2-1-5-18-15/h1-5,12,17H,6-11H2,(H,19,21)
InChIKeyGCBZDENBIKZYLX-UHFFFAOYSA-N
XLogP0.87
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-hydroxy-N-(2-piperazin-1-ylethyl)benzamide
CID 43600333
N-[2-[(3R)-3-(hydroxymethyl)piperidin-1-yl]ethyl]quinoline-6-carboxamide
CID 124754325
5-methyl-N-(2-piperazin-1-ylethyl)-1-quinolin-6-yltriazole-4-carboxamide;dihydrochloride
CID 119445748
N-(2-chloroethyl)quinoline-6-carboxamide
CID 62874874
6-methyl-N-(2-piperazin-1-ylethyl)pyridine-3-carboxamide
CID 43600318
N-(2-piperazin-1-ylethyl)-1H-indole-5-carboxamide
CID 63747724
3-ethoxy-N-(2-piperazin-1-ylethyl)benzamide
CID 119447922
4-fluoro-N-(2-piperazin-1-ylethyl)benzamide
CID 10753244
N-(2-phenylethyl)quinoline-6-carboxamide
CID 2823262
N-(2-piperazin-1-ylethyl)-1-benzothiophene-5-carboxamide
CID 119446532
N-(2-piperazin-1-ylethyl)-3-propoxybenzamide
CID 62050340
N-octylquinoline-6-carboxamide
CID 68863650

Frequently Asked Questions

What is the IUPAC name of N-(2-piperazin-1-ylethyl)quinoline-6-carboxamide?
The IUPAC name of N-(2-piperazin-1-ylethyl)quinoline-6-carboxamide (CID 62875225) is N-(2-piperazin-1-ylethyl)quinoline-6-carboxamide.
What is the SMILES notation for N-(2-piperazin-1-ylethyl)quinoline-6-carboxamide?
The canonical SMILES for N-(2-piperazin-1-ylethyl)quinoline-6-carboxamide is O=C(NCCN1CCNCC1)c1ccc2ncccc2c1.
What is the InChIKey of N-(2-piperazin-1-ylethyl)quinoline-6-carboxamide?
The InChIKey is GCBZDENBIKZYLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c21-16(19-8-11-20-9-6-17-7-10-20)14-3-4-15-13(12-14)2-1-5-18-15/h1-5,12,17H,6-11H2,(H,19,21).
What are the key properties of N-(2-piperazin-1-ylethyl)quinoline-6-carboxamide?
N-(2-piperazin-1-ylethyl)quinoline-6-carboxamide has a molecular weight of 284.36 g/mol, XLogP of 0.87, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-piperazin-1-ylethyl)quinoline-6-carboxamide is sourced from PubChem (CID 62875225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).