N-[2-(cyclohexen-1-yl)ethyl]-2,3-dioxoquinoxaline-6-carboxamide

C17H17N3O3 — CID 73401189

IUPACN-[2-(cyclohexen-1-yl)ethyl]-2,3-dioxoquinoxaline-6-carboxamide
SMILESO=C1N=c2ccc(C(=O)NCCC3=CCCCC3)cc2=NC1=O
InChIInChI=1S/C17H17N3O3/c21-15(18-9-8-11-4-2-1-3-5-11)12-6-7-13-14(10-12)20-17(23)16(22)19-13/h4,6-7,10H,1-3,5,8-9H2,(H,18,21)
InChIKeyFUYXNNIPZVUDKT-UHFFFAOYSA-N
MW311.34 g/mol
LogP0.61
Rot. Bonds4

About N-[2-(cyclohexen-1-yl)ethyl]-2,3-dioxoquinoxaline-6-carboxamide

N-[2-(cyclohexen-1-yl)ethyl]-2,3-dioxoquinoxaline-6-carboxamide (PubChem CID 73401189) has the molecular formula C17H17N3O3 and a molecular weight of 311.34 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-2,3-dioxoquinoxaline-6-carboxamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-2,3-dioxoquinoxaline-6-carboxamide
PubChem CID73401189
Molecular FormulaC17H17N3O3
Molecular Weight311.34 g/mol
Exact Mass311.13
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-2,3-dioxoquinoxaline-6-carboxamide
SMILESO=C1N=c2ccc(C(=O)NCCC3=CCCCC3)cc2=NC1=O
InChIInChI=1S/C17H17N3O3/c21-15(18-9-8-11-4-2-1-3-5-11)12-6-7-13-14(10-12)20-17(23)16(22)19-13/h4,6-7,10H,1-3,5,8-9H2,(H,18,21)
InChIKeyFUYXNNIPZVUDKT-UHFFFAOYSA-N
XLogP0.61
TPSA87.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-2,3-dioxoquinoxaline-6-carboxamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-2,3-dioxoquinoxaline-6-carboxamide (CID 73401189) is N-[2-(cyclohexen-1-yl)ethyl]-2,3-dioxoquinoxaline-6-carboxamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-2,3-dioxoquinoxaline-6-carboxamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-2,3-dioxoquinoxaline-6-carboxamide is O=C1N=c2ccc(C(=O)NCCC3=CCCCC3)cc2=NC1=O.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-2,3-dioxoquinoxaline-6-carboxamide?
The InChIKey is FUYXNNIPZVUDKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O3/c21-15(18-9-8-11-4-2-1-3-5-11)12-6-7-13-14(10-12)20-17(23)16(22)19-13/h4,6-7,10H,1-3,5,8-9H2,(H,18,21).
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-2,3-dioxoquinoxaline-6-carboxamide?
N-[2-(cyclohexen-1-yl)ethyl]-2,3-dioxoquinoxaline-6-carboxamide has a molecular weight of 311.34 g/mol, XLogP of 0.61, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)ethyl]-2,3-dioxoquinoxaline-6-carboxamide is sourced from PubChem (CID 73401189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).