3,4,5-trimethoxy-N-[2-oxo-2-(4-quinoxalin-2-ylpiperazin-1-yl)ethyl]benzamide

C24H27N5O5 — CID 108763927

IUPAC3,4,5-trimethoxy-N-[2-oxo-2-(4-quinoxalin-2-ylpiperazin-1-yl)ethyl]benzamide
SMILESCOc1cc(C(=O)NCC(=O)N2CCN(c3cnc4ccccc4n3)CC2)cc(OC)c1OC
InChIInChI=1S/C24H27N5O5/c1-32-19-12-16(13-20(33-2)23(19)34-3)24(31)26-15-22(30)29-10-8-28(9-11-29)21-14-25-17-6-4-5-7-18(17)27-21/h4-7,12-14H,8-11,15H2,1-3H3,(H,26,31)
InChIKeyAXLUXFVSKYTWQL-UHFFFAOYSA-N
MW465.51 g/mol
LogP1.73
Rot. Bonds7

About 3,4,5-trimethoxy-N-[2-oxo-2-(4-quinoxalin-2-ylpiperazin-1-yl)ethyl]benzamide

3,4,5-trimethoxy-N-[2-oxo-2-(4-quinoxalin-2-ylpiperazin-1-yl)ethyl]benzamide (PubChem CID 108763927) has the molecular formula C24H27N5O5 and a molecular weight of 465.51 g/mol. Its IUPAC name is 3,4,5-trimethoxy-N-[2-oxo-2-(4-quinoxalin-2-ylpiperazin-1-yl)ethyl]benzamide.

Molecular Properties

Compound Name3,4,5-trimethoxy-N-[2-oxo-2-(4-quinoxalin-2-ylpiperazin-1-yl)ethyl]benzamide
PubChem CID108763927
Molecular FormulaC24H27N5O5
Molecular Weight465.51 g/mol
Exact Mass465.20
IUPAC Name3,4,5-trimethoxy-N-[2-oxo-2-(4-quinoxalin-2-ylpiperazin-1-yl)ethyl]benzamide
SMILESCOc1cc(C(=O)NCC(=O)N2CCN(c3cnc4ccccc4n3)CC2)cc(OC)c1OC
InChIInChI=1S/C24H27N5O5/c1-32-19-12-16(13-20(33-2)23(19)34-3)24(31)26-15-22(30)29-10-8-28(9-11-29)21-14-25-17-6-4-5-7-18(17)27-21/h4-7,12-14H,8-11,15H2,1-3H3,(H,26,31)
InChIKeyAXLUXFVSKYTWQL-UHFFFAOYSA-N
XLogP1.73
TPSA106.12 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.51
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

3,4,5-trimethoxy-N-[2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]benzamide
CID 46601420
N-[2-[4-(4-cyano-2-pyridinyl)piperazin-1-yl]-2-oxoethyl]-3,4,5-trimethoxybenzamide
CID 55550122
2-(3,4-dimethoxyphenyl)-1-(4-quinoxalin-2-ylpiperazin-1-yl)ethanone
CID 108741397
4-tert-butyl-N-[2-[4-(4-methylquinolin-2-yl)piperazin-1-yl]-2-oxoethyl]benzamide
CID 108765041
4-tert-butyl-N-[2-oxo-2-(4-quinolin-2-ylpiperazin-1-yl)ethyl]benzamide
CID 108764072
4-methoxy-N-[2-oxo-2-(4-pentanoylpiperazin-1-yl)ethyl]quinoline-2-carboxamide
CID 22184825
4-methoxy-N-[2-oxo-2-[4-(2-phenoxyacetyl)piperazin-1-yl]ethyl]quinoline-2-carboxamide
CID 22184970
N-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-3,4,5-trimethoxybenzamide
CID 51161949
(E)-3-(4-ethoxy-3-methoxyphenyl)-1-(4-quinoxalin-2-ylpiperazin-1-yl)prop-2-en-1-one
CID 108763986
N-[[1-[2-(azepan-1-yl)-2-oxoethyl]benzimidazol-2-yl]methyl]-3,4,5-trimethoxybenzamide
CID 17008656
(3,6-dichloro-2-methoxyphenyl)-(4-quinoxalin-2-ylpiperazin-1-yl)methanone
CID 108741343
2-[4-[2-[(4-methoxyquinoline-2-carbonyl)amino]acetyl]piperazin-1-yl]acetic acid
CID 22184988

Frequently Asked Questions

What is the IUPAC name of 3,4,5-trimethoxy-N-[2-oxo-2-(4-quinoxalin-2-ylpiperazin-1-yl)ethyl]benzamide?
The IUPAC name of 3,4,5-trimethoxy-N-[2-oxo-2-(4-quinoxalin-2-ylpiperazin-1-yl)ethyl]benzamide (CID 108763927) is 3,4,5-trimethoxy-N-[2-oxo-2-(4-quinoxalin-2-ylpiperazin-1-yl)ethyl]benzamide.
What is the SMILES notation for 3,4,5-trimethoxy-N-[2-oxo-2-(4-quinoxalin-2-ylpiperazin-1-yl)ethyl]benzamide?
The canonical SMILES for 3,4,5-trimethoxy-N-[2-oxo-2-(4-quinoxalin-2-ylpiperazin-1-yl)ethyl]benzamide is COc1cc(C(=O)NCC(=O)N2CCN(c3cnc4ccccc4n3)CC2)cc(OC)c1OC.
What is the InChIKey of 3,4,5-trimethoxy-N-[2-oxo-2-(4-quinoxalin-2-ylpiperazin-1-yl)ethyl]benzamide?
The InChIKey is AXLUXFVSKYTWQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O5/c1-32-19-12-16(13-20(33-2)23(19)34-3)24(31)26-15-22(30)29-10-8-28(9-11-29)21-14-25-17-6-4-5-7-18(17)27-21/h4-7,12-14H,8-11,15H2,1-3H3,(H,26,31).
What are the key properties of 3,4,5-trimethoxy-N-[2-oxo-2-(4-quinoxalin-2-ylpiperazin-1-yl)ethyl]benzamide?
3,4,5-trimethoxy-N-[2-oxo-2-(4-quinoxalin-2-ylpiperazin-1-yl)ethyl]benzamide has a molecular weight of 465.51 g/mol, XLogP of 1.73, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-trimethoxy-N-[2-oxo-2-(4-quinoxalin-2-ylpiperazin-1-yl)ethyl]benzamide is sourced from PubChem (CID 108763927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).