N-cyclopropyl-1-ethyl-2,3-dioxo-4H-quinoxaline-6-carboxamide

C14H15N3O3 — CID 2568921

IUPACN-cyclopropyl-1-ethyl-2,3-dioxo-4H-quinoxaline-6-carboxamide
SMILESCCn1c(=O)c(=O)[nH]c2cc(C(=O)NC3CC3)ccc21
InChIInChI=1S/C14H15N3O3/c1-2-17-11-6-3-8(12(18)15-9-4-5-9)7-10(11)16-13(19)14(17)20/h3,6-7,9H,2,4-5H2,1H3,(H,15,18)(H,16,19)
InChIKeyRQRHNWBSKLOQTH-UHFFFAOYSA-N
MW273.29 g/mol
LogP0.60
Rot. Bonds3

About N-cyclopropyl-1-ethyl-2,3-dioxo-4H-quinoxaline-6-carboxamide

N-cyclopropyl-1-ethyl-2,3-dioxo-4H-quinoxaline-6-carboxamide (PubChem CID 2568921) has the molecular formula C14H15N3O3 and a molecular weight of 273.29 g/mol. Its IUPAC name is N-cyclopropyl-1-ethyl-2,3-dioxo-4H-quinoxaline-6-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-1-ethyl-2,3-dioxo-4H-quinoxaline-6-carboxamide
PubChem CID2568921
Molecular FormulaC14H15N3O3
Molecular Weight273.29 g/mol
Exact Mass273.11
IUPAC NameN-cyclopropyl-1-ethyl-2,3-dioxo-4H-quinoxaline-6-carboxamide
SMILESCCn1c(=O)c(=O)[nH]c2cc(C(=O)NC3CC3)ccc21
InChIInChI=1S/C14H15N3O3/c1-2-17-11-6-3-8(12(18)15-9-4-5-9)7-10(11)16-13(19)14(17)20/h3,6-7,9H,2,4-5H2,1H3,(H,15,18)(H,16,19)
InChIKeyRQRHNWBSKLOQTH-UHFFFAOYSA-N
XLogP0.60
TPSA83.96 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-cyclopropyl-1-ethyl-2,3-dioxo-4H-quinoxaline-6-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-1-ethyl-2,3-dioxo-4H-quinoxaline-6-carboxamide?
The IUPAC name of N-cyclopropyl-1-ethyl-2,3-dioxo-4H-quinoxaline-6-carboxamide (CID 2568921) is N-cyclopropyl-1-ethyl-2,3-dioxo-4H-quinoxaline-6-carboxamide.
What is the SMILES notation for N-cyclopropyl-1-ethyl-2,3-dioxo-4H-quinoxaline-6-carboxamide?
The canonical SMILES for N-cyclopropyl-1-ethyl-2,3-dioxo-4H-quinoxaline-6-carboxamide is CCn1c(=O)c(=O)[nH]c2cc(C(=O)NC3CC3)ccc21.
What is the InChIKey of N-cyclopropyl-1-ethyl-2,3-dioxo-4H-quinoxaline-6-carboxamide?
The InChIKey is RQRHNWBSKLOQTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3/c1-2-17-11-6-3-8(12(18)15-9-4-5-9)7-10(11)16-13(19)14(17)20/h3,6-7,9H,2,4-5H2,1H3,(H,15,18)(H,16,19).
What are the key properties of N-cyclopropyl-1-ethyl-2,3-dioxo-4H-quinoxaline-6-carboxamide?
N-cyclopropyl-1-ethyl-2,3-dioxo-4H-quinoxaline-6-carboxamide has a molecular weight of 273.29 g/mol, XLogP of 0.60, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-1-ethyl-2,3-dioxo-4H-quinoxaline-6-carboxamide is sourced from PubChem (CID 2568921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).