N-(4-cyclopropyl-1,3-thiazol-2-yl)-1-ethyl-2,3-dioxo-4H-quinoxaline-6-carboxamide

C17H16N4O3S — CID 32864496

IUPACN-(4-cyclopropyl-1,3-thiazol-2-yl)-1-ethyl-2,3-dioxo-4H-quinoxaline-6-carboxamide
SMILESCCn1c(=O)c(=O)[nH]c2cc(C(=O)Nc3nc(C4CC4)cs3)ccc21
InChIInChI=1S/C17H16N4O3S/c1-2-21-13-6-5-10(7-11(13)18-15(23)16(21)24)14(22)20-17-19-12(8-25-17)9-3-4-9/h5-9H,2-4H2,1H3,(H,18,23)(H,19,20,22)
InChIKeyORKYIWLYCWRHIG-UHFFFAOYSA-N
MW356.41 g/mol
LogP2.30
Rot. Bonds4

About N-(4-cyclopropyl-1,3-thiazol-2-yl)-1-ethyl-2,3-dioxo-4H-quinoxaline-6-carboxamide

N-(4-cyclopropyl-1,3-thiazol-2-yl)-1-ethyl-2,3-dioxo-4H-quinoxaline-6-carboxamide (PubChem CID 32864496) has the molecular formula C17H16N4O3S and a molecular weight of 356.41 g/mol. Its IUPAC name is N-(4-cyclopropyl-1,3-thiazol-2-yl)-1-ethyl-2,3-dioxo-4H-quinoxaline-6-carboxamide.

Molecular Properties

Compound NameN-(4-cyclopropyl-1,3-thiazol-2-yl)-1-ethyl-2,3-dioxo-4H-quinoxaline-6-carboxamide
PubChem CID32864496
Molecular FormulaC17H16N4O3S
Molecular Weight356.41 g/mol
Exact Mass356.09
IUPAC NameN-(4-cyclopropyl-1,3-thiazol-2-yl)-1-ethyl-2,3-dioxo-4H-quinoxaline-6-carboxamide
SMILESCCn1c(=O)c(=O)[nH]c2cc(C(=O)Nc3nc(C4CC4)cs3)ccc21
InChIInChI=1S/C17H16N4O3S/c1-2-21-13-6-5-10(7-11(13)18-15(23)16(21)24)14(22)20-17-19-12(8-25-17)9-3-4-9/h5-9H,2-4H2,1H3,(H,18,23)(H,19,20,22)
InChIKeyORKYIWLYCWRHIG-UHFFFAOYSA-N
XLogP2.30
TPSA96.85 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.41
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(4-cyclopropyl-1,3-thiazol-2-yl)-1-ethyl-2,3-dioxo-4H-quinoxaline-6-carboxamide?
The IUPAC name of N-(4-cyclopropyl-1,3-thiazol-2-yl)-1-ethyl-2,3-dioxo-4H-quinoxaline-6-carboxamide (CID 32864496) is N-(4-cyclopropyl-1,3-thiazol-2-yl)-1-ethyl-2,3-dioxo-4H-quinoxaline-6-carboxamide.
What is the SMILES notation for N-(4-cyclopropyl-1,3-thiazol-2-yl)-1-ethyl-2,3-dioxo-4H-quinoxaline-6-carboxamide?
The canonical SMILES for N-(4-cyclopropyl-1,3-thiazol-2-yl)-1-ethyl-2,3-dioxo-4H-quinoxaline-6-carboxamide is CCn1c(=O)c(=O)[nH]c2cc(C(=O)Nc3nc(C4CC4)cs3)ccc21.
What is the InChIKey of N-(4-cyclopropyl-1,3-thiazol-2-yl)-1-ethyl-2,3-dioxo-4H-quinoxaline-6-carboxamide?
The InChIKey is ORKYIWLYCWRHIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O3S/c1-2-21-13-6-5-10(7-11(13)18-15(23)16(21)24)14(22)20-17-19-12(8-25-17)9-3-4-9/h5-9H,2-4H2,1H3,(H,18,23)(H,19,20,22).
What are the key properties of N-(4-cyclopropyl-1,3-thiazol-2-yl)-1-ethyl-2,3-dioxo-4H-quinoxaline-6-carboxamide?
N-(4-cyclopropyl-1,3-thiazol-2-yl)-1-ethyl-2,3-dioxo-4H-quinoxaline-6-carboxamide has a molecular weight of 356.41 g/mol, XLogP of 2.30, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyclopropyl-1,3-thiazol-2-yl)-1-ethyl-2,3-dioxo-4H-quinoxaline-6-carboxamide is sourced from PubChem (CID 32864496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).