N-[2-(2-ethylimidazol-1-yl)ethyl]-2,3-dioxo-1,4-dihydroquinoxaline-6-carboxamide

C16H17N5O3 — CID 91759660

IUPACN-[2-(2-ethylimidazol-1-yl)ethyl]-2,3-dioxo-1,4-dihydroquinoxaline-6-carboxamide
SMILESCCc1nccn1CCNC(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1
InChIInChI=1S/C16H17N5O3/c1-2-13-17-5-7-21(13)8-6-18-14(22)10-3-4-11-12(9-10)20-16(24)15(23)19-11/h3-5,7,9H,2,6,8H2,1H3,(H,18,22)(H,19,23)(H,20,24)
InChIKeyAHUXZIRCVQJLDZ-UHFFFAOYSA-N
MW327.34 g/mol
LogP0.41
Rot. Bonds5

About N-[2-(2-ethylimidazol-1-yl)ethyl]-2,3-dioxo-1,4-dihydroquinoxaline-6-carboxamide

N-[2-(2-ethylimidazol-1-yl)ethyl]-2,3-dioxo-1,4-dihydroquinoxaline-6-carboxamide (PubChem CID 91759660) has the molecular formula C16H17N5O3 and a molecular weight of 327.34 g/mol. Its IUPAC name is N-[2-(2-ethylimidazol-1-yl)ethyl]-2,3-dioxo-1,4-dihydroquinoxaline-6-carboxamide.

Molecular Properties

Compound NameN-[2-(2-ethylimidazol-1-yl)ethyl]-2,3-dioxo-1,4-dihydroquinoxaline-6-carboxamide
PubChem CID91759660
Molecular FormulaC16H17N5O3
Molecular Weight327.34 g/mol
Exact Mass327.13
IUPAC NameN-[2-(2-ethylimidazol-1-yl)ethyl]-2,3-dioxo-1,4-dihydroquinoxaline-6-carboxamide
SMILESCCc1nccn1CCNC(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1
InChIInChI=1S/C16H17N5O3/c1-2-13-17-5-7-21(13)8-6-18-14(22)10-3-4-11-12(9-10)20-16(24)15(23)19-11/h3-5,7,9H,2,6,8H2,1H3,(H,18,22)(H,19,23)(H,20,24)
InChIKeyAHUXZIRCVQJLDZ-UHFFFAOYSA-N
XLogP0.41
TPSA112.64 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.34
LogP ≤ 50.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

4-(3,5-dimethylpyrazol-1-yl)-N-[2-(2-ethylimidazol-1-yl)ethyl]benzamide
CID 167947657
N-(2-morpholin-4-ylethyl)-2,3-dioxo-1,4-dihydroquinoxaline-6-carboxamide
CID 23474561
N-[2-(2-ethylimidazol-1-yl)ethyl]-2-(4-fluorophenyl)benzamide
CID 91785685
N-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]-2,3-dioxo-1,4-dihydroquinoxaline-6-carboxamide
CID 91793548
N-[3-(1-methylpyrazol-4-yl)propyl]-2,3-dioxo-1,4-dihydroquinoxaline-6-carboxamide
CID 91770397
N-[2-(2-ethylimidazol-1-yl)ethyl]-2,7,8-trimethylquinoline-4-carboxamide
CID 70712385
2-ethyl-1-[6-(2-ethylimidazol-1-yl)hexyl]imidazole
CID 132598751
5-(2-chlorophenyl)-N-[2-(2-ethylimidazol-1-yl)ethyl]furan-2-carboxamide
CID 70717961
N-[2-(2-ethylimidazol-1-yl)ethyl]-2-pyrrolidin-1-ylacetamide
CID 91793772
N-[3-(2-ethylimidazol-1-yl)propyl]furan-2-carboxamide
CID 13371088
3-(5,6-dimethyl-2-oxo-1H-pyridin-3-yl)-N-[(1-propylimidazol-2-yl)methyl]benzamide
CID 122558606
3-(2-ethylimidazol-1-yl)-1-phenylpropan-1-one
CID 116691859

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-ethylimidazol-1-yl)ethyl]-2,3-dioxo-1,4-dihydroquinoxaline-6-carboxamide?
The IUPAC name of N-[2-(2-ethylimidazol-1-yl)ethyl]-2,3-dioxo-1,4-dihydroquinoxaline-6-carboxamide (CID 91759660) is N-[2-(2-ethylimidazol-1-yl)ethyl]-2,3-dioxo-1,4-dihydroquinoxaline-6-carboxamide.
What is the SMILES notation for N-[2-(2-ethylimidazol-1-yl)ethyl]-2,3-dioxo-1,4-dihydroquinoxaline-6-carboxamide?
The canonical SMILES for N-[2-(2-ethylimidazol-1-yl)ethyl]-2,3-dioxo-1,4-dihydroquinoxaline-6-carboxamide is CCc1nccn1CCNC(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1.
What is the InChIKey of N-[2-(2-ethylimidazol-1-yl)ethyl]-2,3-dioxo-1,4-dihydroquinoxaline-6-carboxamide?
The InChIKey is AHUXZIRCVQJLDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O3/c1-2-13-17-5-7-21(13)8-6-18-14(22)10-3-4-11-12(9-10)20-16(24)15(23)19-11/h3-5,7,9H,2,6,8H2,1H3,(H,18,22)(H,19,23)(H,20,24).
What are the key properties of N-[2-(2-ethylimidazol-1-yl)ethyl]-2,3-dioxo-1,4-dihydroquinoxaline-6-carboxamide?
N-[2-(2-ethylimidazol-1-yl)ethyl]-2,3-dioxo-1,4-dihydroquinoxaline-6-carboxamide has a molecular weight of 327.34 g/mol, XLogP of 0.41, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-ethylimidazol-1-yl)ethyl]-2,3-dioxo-1,4-dihydroquinoxaline-6-carboxamide is sourced from PubChem (CID 91759660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).