1-benzyl-N-[2-(4-ethylpiperazin-1-yl)ethyl]-3-methyl-2-oxoquinoxaline-6-carboxamide

C25H31N5O2 — CID 53058369

IUPAC1-benzyl-N-[2-(4-ethylpiperazin-1-yl)ethyl]-3-methyl-2-oxoquinoxaline-6-carboxamide
SMILESCCN1CCN(CCNC(=O)c2ccc3c(c2)nc(C)c(=O)n3Cc2ccccc2)CC1
InChIInChI=1S/C25H31N5O2/c1-3-28-13-15-29(16-14-28)12-11-26-24(31)21-9-10-23-22(17-21)27-19(2)25(32)30(23)18-20-7-5-4-6-8-20/h4-10,17H,3,11-16,18H2,1-2H3,(H,26,31)
InChIKeyKZYNPZICTNHNBW-UHFFFAOYSA-N
MW433.56 g/mol
LogP2.12
Rot. Bonds7

About 1-benzyl-N-[2-(4-ethylpiperazin-1-yl)ethyl]-3-methyl-2-oxoquinoxaline-6-carboxamide

1-benzyl-N-[2-(4-ethylpiperazin-1-yl)ethyl]-3-methyl-2-oxoquinoxaline-6-carboxamide (PubChem CID 53058369) has the molecular formula C25H31N5O2 and a molecular weight of 433.56 g/mol. Its IUPAC name is 1-benzyl-N-[2-(4-ethylpiperazin-1-yl)ethyl]-3-methyl-2-oxoquinoxaline-6-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-[2-(4-ethylpiperazin-1-yl)ethyl]-3-methyl-2-oxoquinoxaline-6-carboxamide
PubChem CID53058369
Molecular FormulaC25H31N5O2
Molecular Weight433.56 g/mol
Exact Mass433.25
IUPAC Name1-benzyl-N-[2-(4-ethylpiperazin-1-yl)ethyl]-3-methyl-2-oxoquinoxaline-6-carboxamide
SMILESCCN1CCN(CCNC(=O)c2ccc3c(c2)nc(C)c(=O)n3Cc2ccccc2)CC1
InChIInChI=1S/C25H31N5O2/c1-3-28-13-15-29(16-14-28)12-11-26-24(31)21-9-10-23-22(17-21)27-19(2)25(32)30(23)18-20-7-5-4-6-8-20/h4-10,17H,3,11-16,18H2,1-2H3,(H,26,31)
InChIKeyKZYNPZICTNHNBW-UHFFFAOYSA-N
XLogP2.12
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.56
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-benzyl-N-(3-ethoxypropyl)-3-methyl-2-oxoquinoxaline-6-carboxamide
CID 53058345
1-benzyl-N-[2-(4-chlorophenyl)ethyl]-3-methyl-2-oxoquinoxaline-6-carboxamide
CID 53005123
4-[(4-ethyl-2,3-dioxoquinoxalin-1-yl)methyl]-N-[2-(4-ethylpiperazin-1-yl)ethyl]benzamide
CID 50815603
1-benzyl-3-methyl-N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]-2-oxoquinoxaline-6-carboxamide
CID 95065821
1-benzyl-3-methyl-N-[2-(4-methylsulfanylphenyl)ethyl]-2-oxoquinoxaline-6-carboxamide
CID 53058393
N-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-1-ethyl-3-methyl-2-oxoquinoxaline-6-carboxamide
CID 30830104
1-benzyl-3-methyl-2-oxo-N-(thiophen-2-ylmethyl)quinoxaline-6-carboxamide
CID 53058343
1-benzyl-3-methyl-N-[[(3R)-1-[(4-methylphenyl)methyl]pyrrolidin-3-yl]methyl]-2-oxoquinoxaline-6-carboxamide
CID 95065840
N-[2-(4-benzylpiperazin-1-yl)ethyl]-1-ethylbenzotriazole-5-carboxamide
CID 39982088
N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-1-ethyl-3-methyl-2-oxoquinoxaline-6-carboxamide
CID 34306532
4-[(3-methyl-2-oxoquinoxalin-1-yl)methyl]-N-propylbenzamide
CID 46324669
1-ethyl-3-methyl-N-[3-(N-methylanilino)propyl]-2-oxoquinoxaline-6-carboxamide
CID 37315842

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-[2-(4-ethylpiperazin-1-yl)ethyl]-3-methyl-2-oxoquinoxaline-6-carboxamide?
The IUPAC name of 1-benzyl-N-[2-(4-ethylpiperazin-1-yl)ethyl]-3-methyl-2-oxoquinoxaline-6-carboxamide (CID 53058369) is 1-benzyl-N-[2-(4-ethylpiperazin-1-yl)ethyl]-3-methyl-2-oxoquinoxaline-6-carboxamide.
What is the SMILES notation for 1-benzyl-N-[2-(4-ethylpiperazin-1-yl)ethyl]-3-methyl-2-oxoquinoxaline-6-carboxamide?
The canonical SMILES for 1-benzyl-N-[2-(4-ethylpiperazin-1-yl)ethyl]-3-methyl-2-oxoquinoxaline-6-carboxamide is CCN1CCN(CCNC(=O)c2ccc3c(c2)nc(C)c(=O)n3Cc2ccccc2)CC1.
What is the InChIKey of 1-benzyl-N-[2-(4-ethylpiperazin-1-yl)ethyl]-3-methyl-2-oxoquinoxaline-6-carboxamide?
The InChIKey is KZYNPZICTNHNBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N5O2/c1-3-28-13-15-29(16-14-28)12-11-26-24(31)21-9-10-23-22(17-21)27-19(2)25(32)30(23)18-20-7-5-4-6-8-20/h4-10,17H,3,11-16,18H2,1-2H3,(H,26,31).
What are the key properties of 1-benzyl-N-[2-(4-ethylpiperazin-1-yl)ethyl]-3-methyl-2-oxoquinoxaline-6-carboxamide?
1-benzyl-N-[2-(4-ethylpiperazin-1-yl)ethyl]-3-methyl-2-oxoquinoxaline-6-carboxamide has a molecular weight of 433.56 g/mol, XLogP of 2.12, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-[2-(4-ethylpiperazin-1-yl)ethyl]-3-methyl-2-oxoquinoxaline-6-carboxamide is sourced from PubChem (CID 53058369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).