4-tert-butyl-N-[2-oxo-2-(4-quinolin-2-ylpiperazin-1-yl)ethyl]benzamide

C26H30N4O2 — CID 108764072

IUPAC4-tert-butyl-N-[2-oxo-2-(4-quinolin-2-ylpiperazin-1-yl)ethyl]benzamide
SMILESCC(C)(C)c1ccc(C(=O)NCC(=O)N2CCN(c3ccc4ccccc4n3)CC2)cc1
InChIInChI=1S/C26H30N4O2/c1-26(2,3)21-11-8-20(9-12-21)25(32)27-18-24(31)30-16-14-29(15-17-30)23-13-10-19-6-4-5-7-22(19)28-23/h4-13H,14-18H2,1-3H3,(H,27,32)
InChIKeyCXVOATVHDFPUFU-UHFFFAOYSA-N
MW430.55 g/mol
LogP3.61
Rot. Bonds4

About 4-tert-butyl-N-[2-oxo-2-(4-quinolin-2-ylpiperazin-1-yl)ethyl]benzamide

4-tert-butyl-N-[2-oxo-2-(4-quinolin-2-ylpiperazin-1-yl)ethyl]benzamide (PubChem CID 108764072) has the molecular formula C26H30N4O2 and a molecular weight of 430.55 g/mol. Its IUPAC name is 4-tert-butyl-N-[2-oxo-2-(4-quinolin-2-ylpiperazin-1-yl)ethyl]benzamide.

Molecular Properties

Compound Name4-tert-butyl-N-[2-oxo-2-(4-quinolin-2-ylpiperazin-1-yl)ethyl]benzamide
PubChem CID108764072
Molecular FormulaC26H30N4O2
Molecular Weight430.55 g/mol
Exact Mass430.24
IUPAC Name4-tert-butyl-N-[2-oxo-2-(4-quinolin-2-ylpiperazin-1-yl)ethyl]benzamide
SMILESCC(C)(C)c1ccc(C(=O)NCC(=O)N2CCN(c3ccc4ccccc4n3)CC2)cc1
InChIInChI=1S/C26H30N4O2/c1-26(2,3)21-11-8-20(9-12-21)25(32)27-18-24(31)30-16-14-29(15-17-30)23-13-10-19-6-4-5-7-22(19)28-23/h4-13H,14-18H2,1-3H3,(H,27,32)
InChIKeyCXVOATVHDFPUFU-UHFFFAOYSA-N
XLogP3.61
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.55
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-tert-butyl-N-[2-[4-(4-methylquinolin-2-yl)piperazin-1-yl]-2-oxoethyl]benzamide
CID 108765041
N-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-4-tert-butylbenzamide
CID 34839400
2-amino-1-(4-quinolin-2-ylpiperazin-1-yl)ethanone
CID 3063580
2-[4-[2-oxo-2-(4-quinolin-2-ylpiperazin-1-yl)ethyl]piperazin-1-yl]-1-(4-quinolin-2-ylpiperazin-1-yl)ethanone
CID 4310270
3,3-diphenyl-1-(4-quinolin-2-ylpiperazin-1-yl)propan-1-one
CID 108741630
4-tert-butyl-N-(2-morpholin-4-yl-2-oxoethyl)benzamide
CID 27258300
2-piperidin-1-yl-1-(4-quinolin-2-ylpiperazin-1-yl)ethanone
CID 567081
3,4,5-trimethoxy-N-[2-oxo-2-(4-quinoxalin-2-ylpiperazin-1-yl)ethyl]benzamide
CID 108763927
phenyl-(4-quinolin-2-ylpiperazin-1-yl)methanone
CID 23879424
ethyl 4-quinolin-2-ylpiperazine-1-carboxylate
CID 670873
N-[2-[4-(6-chloro-2-pyridinyl)piperazin-1-yl]-2-oxoethyl]-4-fluorobenzamide
CID 55861764
4-tert-butyl-N-[2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]benzamide
CID 26870631

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[2-oxo-2-(4-quinolin-2-ylpiperazin-1-yl)ethyl]benzamide?
The IUPAC name of 4-tert-butyl-N-[2-oxo-2-(4-quinolin-2-ylpiperazin-1-yl)ethyl]benzamide (CID 108764072) is 4-tert-butyl-N-[2-oxo-2-(4-quinolin-2-ylpiperazin-1-yl)ethyl]benzamide.
What is the SMILES notation for 4-tert-butyl-N-[2-oxo-2-(4-quinolin-2-ylpiperazin-1-yl)ethyl]benzamide?
The canonical SMILES for 4-tert-butyl-N-[2-oxo-2-(4-quinolin-2-ylpiperazin-1-yl)ethyl]benzamide is CC(C)(C)c1ccc(C(=O)NCC(=O)N2CCN(c3ccc4ccccc4n3)CC2)cc1.
What is the InChIKey of 4-tert-butyl-N-[2-oxo-2-(4-quinolin-2-ylpiperazin-1-yl)ethyl]benzamide?
The InChIKey is CXVOATVHDFPUFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N4O2/c1-26(2,3)21-11-8-20(9-12-21)25(32)27-18-24(31)30-16-14-29(15-17-30)23-13-10-19-6-4-5-7-22(19)28-23/h4-13H,14-18H2,1-3H3,(H,27,32).
What are the key properties of 4-tert-butyl-N-[2-oxo-2-(4-quinolin-2-ylpiperazin-1-yl)ethyl]benzamide?
4-tert-butyl-N-[2-oxo-2-(4-quinolin-2-ylpiperazin-1-yl)ethyl]benzamide has a molecular weight of 430.55 g/mol, XLogP of 3.61, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[2-oxo-2-(4-quinolin-2-ylpiperazin-1-yl)ethyl]benzamide is sourced from PubChem (CID 108764072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).