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

C15H20N4O3 — CID 119523999

IUPACN-(1-amino-2-methylpropan-2-yl)-1-ethyl-2,3-dioxo-4H-quinoxaline-6-carboxamide
SMILESCCn1c(=O)c(=O)[nH]c2cc(C(=O)NC(C)(C)CN)ccc21
InChIInChI=1S/C15H20N4O3/c1-4-19-11-6-5-9(12(20)18-15(2,3)8-16)7-10(11)17-13(21)14(19)22/h5-7H,4,8,16H2,1-3H3,(H,17,21)(H,18,20)
InChIKeyFXBXXDCJVMPSDO-UHFFFAOYSA-N
MW304.35 g/mol
LogP0.18
Rot. Bonds4

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

N-(1-amino-2-methylpropan-2-yl)-1-ethyl-2,3-dioxo-4H-quinoxaline-6-carboxamide (PubChem CID 119523999) has the molecular formula C15H20N4O3 and a molecular weight of 304.35 g/mol. Its IUPAC name is N-(1-amino-2-methylpropan-2-yl)-1-ethyl-2,3-dioxo-4H-quinoxaline-6-carboxamide.

Molecular Properties

Compound NameN-(1-amino-2-methylpropan-2-yl)-1-ethyl-2,3-dioxo-4H-quinoxaline-6-carboxamide
PubChem CID119523999
Molecular FormulaC15H20N4O3
Molecular Weight304.35 g/mol
Exact Mass304.15
IUPAC NameN-(1-amino-2-methylpropan-2-yl)-1-ethyl-2,3-dioxo-4H-quinoxaline-6-carboxamide
SMILESCCn1c(=O)c(=O)[nH]c2cc(C(=O)NC(C)(C)CN)ccc21
InChIInChI=1S/C15H20N4O3/c1-4-19-11-6-5-9(12(20)18-15(2,3)8-16)7-10(11)17-13(21)14(19)22/h5-7H,4,8,16H2,1-3H3,(H,17,21)(H,18,20)
InChIKeyFXBXXDCJVMPSDO-UHFFFAOYSA-N
XLogP0.18
TPSA109.98 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 50.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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-(1-amino-2-methylpropan-2-yl)-1-ethyl-2,3-dioxo-4H-quinoxaline-6-carboxamide?
The IUPAC name of N-(1-amino-2-methylpropan-2-yl)-1-ethyl-2,3-dioxo-4H-quinoxaline-6-carboxamide (CID 119523999) is N-(1-amino-2-methylpropan-2-yl)-1-ethyl-2,3-dioxo-4H-quinoxaline-6-carboxamide.
What is the SMILES notation for N-(1-amino-2-methylpropan-2-yl)-1-ethyl-2,3-dioxo-4H-quinoxaline-6-carboxamide?
The canonical SMILES for N-(1-amino-2-methylpropan-2-yl)-1-ethyl-2,3-dioxo-4H-quinoxaline-6-carboxamide is CCn1c(=O)c(=O)[nH]c2cc(C(=O)NC(C)(C)CN)ccc21.
What is the InChIKey of N-(1-amino-2-methylpropan-2-yl)-1-ethyl-2,3-dioxo-4H-quinoxaline-6-carboxamide?
The InChIKey is FXBXXDCJVMPSDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O3/c1-4-19-11-6-5-9(12(20)18-15(2,3)8-16)7-10(11)17-13(21)14(19)22/h5-7H,4,8,16H2,1-3H3,(H,17,21)(H,18,20).
What are the key properties of N-(1-amino-2-methylpropan-2-yl)-1-ethyl-2,3-dioxo-4H-quinoxaline-6-carboxamide?
N-(1-amino-2-methylpropan-2-yl)-1-ethyl-2,3-dioxo-4H-quinoxaline-6-carboxamide has a molecular weight of 304.35 g/mol, XLogP of 0.18, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2-methylpropan-2-yl)-1-ethyl-2,3-dioxo-4H-quinoxaline-6-carboxamide is sourced from PubChem (CID 119523999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).