2-(4-benzoylpiperazin-1-yl)quinoline-4-carboxamide

C21H20N4O2 — CID 146039796

IUPAC2-(4-benzoylpiperazin-1-yl)quinoline-4-carboxamide
SMILESNC(=O)c1cc(N2CCN(C(=O)c3ccccc3)CC2)nc2ccccc12
InChIInChI=1S/C21H20N4O2/c22-20(26)17-14-19(23-18-9-5-4-8-16(17)18)24-10-12-25(13-11-24)21(27)15-6-2-1-3-7-15/h1-9,14H,10-13H2,(H2,22,26)
InChIKeyOYVCNZHOCYOHDL-UHFFFAOYSA-N
MW360.42 g/mol
LogP2.30
Rot. Bonds3

About 2-(4-benzoylpiperazin-1-yl)quinoline-4-carboxamide

2-(4-benzoylpiperazin-1-yl)quinoline-4-carboxamide (PubChem CID 146039796) has the molecular formula C21H20N4O2 and a molecular weight of 360.42 g/mol. Its IUPAC name is 2-(4-benzoylpiperazin-1-yl)quinoline-4-carboxamide.

Molecular Properties

Compound Name2-(4-benzoylpiperazin-1-yl)quinoline-4-carboxamide
PubChem CID146039796
Molecular FormulaC21H20N4O2
Molecular Weight360.42 g/mol
Exact Mass360.16
IUPAC Name2-(4-benzoylpiperazin-1-yl)quinoline-4-carboxamide
SMILESNC(=O)c1cc(N2CCN(C(=O)c3ccccc3)CC2)nc2ccccc12
InChIInChI=1S/C21H20N4O2/c22-20(26)17-14-19(23-18-9-5-4-8-16(17)18)24-10-12-25(13-11-24)21(27)15-6-2-1-3-7-15/h1-9,14H,10-13H2,(H2,22,26)
InChIKeyOYVCNZHOCYOHDL-UHFFFAOYSA-N
XLogP2.30
TPSA79.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.42
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-piperidin-1-ylquinoline-4-carboxamide
CID 22481833
2-[4-(1H-1,2,4-triazol-5-yl)piperazin-1-yl]quinoline-4-carboxamide
CID 154567019
phenyl-(4-quinolin-2-ylpiperazin-1-yl)methanone
CID 23879424
acetic acid;2-(4-piperidin-4-ylpiperidin-1-yl)quinoline-4-carboxamide
CID 163333548
2-(3,5-dimethylpiperazin-1-yl)quinoline-4-carboxamide
CID 63884867
2-[(3S)-3-hydroxypiperidin-1-yl]quinoline-4-carboxamide
CID 94022780
2-(4-morpholin-4-ylpiperidin-1-yl)quinoline-4-carboxamide
CID 117094553
2-[(3R,4R)-3-fluoro-4-hydroxypyrrolidin-1-yl]quinoline-4-carboxamide
CID 154817068
[4-(2-amino-6-chloropyrimidin-4-yl)piperazin-1-yl]-phenylmethanone
CID 31537716
1-(4-carbamoylquinolin-2-yl)pyrrolidine-2-carboxylic acid
CID 63885030
phenyl-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 121038151
2-(2-oxospiro[1H-indole-3,4'-piperidine]-1'-yl)quinoline-4-carboxamide;hydrochloride
CID 154888897

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzoylpiperazin-1-yl)quinoline-4-carboxamide?
The IUPAC name of 2-(4-benzoylpiperazin-1-yl)quinoline-4-carboxamide (CID 146039796) is 2-(4-benzoylpiperazin-1-yl)quinoline-4-carboxamide.
What is the SMILES notation for 2-(4-benzoylpiperazin-1-yl)quinoline-4-carboxamide?
The canonical SMILES for 2-(4-benzoylpiperazin-1-yl)quinoline-4-carboxamide is NC(=O)c1cc(N2CCN(C(=O)c3ccccc3)CC2)nc2ccccc12.
What is the InChIKey of 2-(4-benzoylpiperazin-1-yl)quinoline-4-carboxamide?
The InChIKey is OYVCNZHOCYOHDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O2/c22-20(26)17-14-19(23-18-9-5-4-8-16(17)18)24-10-12-25(13-11-24)21(27)15-6-2-1-3-7-15/h1-9,14H,10-13H2,(H2,22,26).
What are the key properties of 2-(4-benzoylpiperazin-1-yl)quinoline-4-carboxamide?
2-(4-benzoylpiperazin-1-yl)quinoline-4-carboxamide has a molecular weight of 360.42 g/mol, XLogP of 2.30, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzoylpiperazin-1-yl)quinoline-4-carboxamide is sourced from PubChem (CID 146039796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).