N-hydroxy-3-oxo-2-propan-2-yl-2,4-dihydro-1H-quinoxaline-6-carboxamide

C12H15N3O3 — CID 73301125

IUPACN-hydroxy-3-oxo-2-propan-2-yl-2,4-dihydro-1H-quinoxaline-6-carboxamide
SMILESCC(C)C1Nc2ccc(C(=O)NO)cc2NC1=O
InChIInChI=1S/C12H15N3O3/c1-6(2)10-12(17)14-9-5-7(11(16)15-18)3-4-8(9)13-10/h3-6,10,13,18H,1-2H3,(H,14,17)(H,15,16)
InChIKeyWUUAMJFZXBHRPZ-UHFFFAOYSA-N
MW249.27 g/mol
LogP1.19
Rot. Bonds2

About N-hydroxy-3-oxo-2-propan-2-yl-2,4-dihydro-1H-quinoxaline-6-carboxamide

N-hydroxy-3-oxo-2-propan-2-yl-2,4-dihydro-1H-quinoxaline-6-carboxamide (PubChem CID 73301125) has the molecular formula C12H15N3O3 and a molecular weight of 249.27 g/mol. Its IUPAC name is N-hydroxy-3-oxo-2-propan-2-yl-2,4-dihydro-1H-quinoxaline-6-carboxamide.

Molecular Properties

Compound NameN-hydroxy-3-oxo-2-propan-2-yl-2,4-dihydro-1H-quinoxaline-6-carboxamide
PubChem CID73301125
Molecular FormulaC12H15N3O3
Molecular Weight249.27 g/mol
Exact Mass249.11
IUPAC NameN-hydroxy-3-oxo-2-propan-2-yl-2,4-dihydro-1H-quinoxaline-6-carboxamide
SMILESCC(C)C1Nc2ccc(C(=O)NO)cc2NC1=O
InChIInChI=1S/C12H15N3O3/c1-6(2)10-12(17)14-9-5-7(11(16)15-18)3-4-8(9)13-10/h3-6,10,13,18H,1-2H3,(H,14,17)(H,15,16)
InChIKeyWUUAMJFZXBHRPZ-UHFFFAOYSA-N
XLogP1.19
TPSA90.46 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 51.19
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-hydroxy-3-oxo-2-propan-2-yl-2,4-dihydro-1H-quinoxaline-6-carboxamide?
The IUPAC name of N-hydroxy-3-oxo-2-propan-2-yl-2,4-dihydro-1H-quinoxaline-6-carboxamide (CID 73301125) is N-hydroxy-3-oxo-2-propan-2-yl-2,4-dihydro-1H-quinoxaline-6-carboxamide.
What is the SMILES notation for N-hydroxy-3-oxo-2-propan-2-yl-2,4-dihydro-1H-quinoxaline-6-carboxamide?
The canonical SMILES for N-hydroxy-3-oxo-2-propan-2-yl-2,4-dihydro-1H-quinoxaline-6-carboxamide is CC(C)C1Nc2ccc(C(=O)NO)cc2NC1=O.
What is the InChIKey of N-hydroxy-3-oxo-2-propan-2-yl-2,4-dihydro-1H-quinoxaline-6-carboxamide?
The InChIKey is WUUAMJFZXBHRPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O3/c1-6(2)10-12(17)14-9-5-7(11(16)15-18)3-4-8(9)13-10/h3-6,10,13,18H,1-2H3,(H,14,17)(H,15,16).
What are the key properties of N-hydroxy-3-oxo-2-propan-2-yl-2,4-dihydro-1H-quinoxaline-6-carboxamide?
N-hydroxy-3-oxo-2-propan-2-yl-2,4-dihydro-1H-quinoxaline-6-carboxamide has a molecular weight of 249.27 g/mol, XLogP of 1.19, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-3-oxo-2-propan-2-yl-2,4-dihydro-1H-quinoxaline-6-carboxamide is sourced from PubChem (CID 73301125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).