N-(2-methylpropoxy)quinoxaline-2-carboxamide

C13H15N3O2 — CID 113304479

IUPACN-(2-methylpropoxy)quinoxaline-2-carboxamide
SMILESCC(C)CONC(=O)c1cnc2ccccc2n1
InChIInChI=1S/C13H15N3O2/c1-9(2)8-18-16-13(17)12-7-14-10-5-3-4-6-11(10)15-12/h3-7,9H,8H2,1-2H3,(H,16,17)
InChIKeyVGLAPTLKEGTSSI-UHFFFAOYSA-N
MW245.28 g/mol
LogP1.95
Rot. Bonds4

About N-(2-methylpropoxy)quinoxaline-2-carboxamide

N-(2-methylpropoxy)quinoxaline-2-carboxamide (PubChem CID 113304479) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is N-(2-methylpropoxy)quinoxaline-2-carboxamide.

Molecular Properties

Compound NameN-(2-methylpropoxy)quinoxaline-2-carboxamide
PubChem CID113304479
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC NameN-(2-methylpropoxy)quinoxaline-2-carboxamide
SMILESCC(C)CONC(=O)c1cnc2ccccc2n1
InChIInChI=1S/C13H15N3O2/c1-9(2)8-18-16-13(17)12-7-14-10-5-3-4-6-11(10)15-12/h3-7,9H,8H2,1-2H3,(H,16,17)
InChIKeyVGLAPTLKEGTSSI-UHFFFAOYSA-N
XLogP1.95
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methylpropyl)quinoxaline-2-carboxamide
CID 32978197
N-[(2S)-1-aminopropan-2-yl]quinoxaline-2-carboxamide
CID 120507243
N-(2-aminopropyl)quinoxaline-2-carboxamide
CID 107356511
N-(2-amino-3-methylbutyl)quinoxaline-2-carboxamide
CID 103807153
N-(1-hydroxy-4-methylpentan-2-yl)quinoxaline-2-carboxamide
CID 61246505
N-(4-hydroxy-3-methylbutan-2-yl)quinoxaline-2-carboxamide
CID 115734850
2-amino-1-quinoxalin-2-ylpropan-1-one
CID 84670100
N-(2-methylpropoxy)quinoline-4-carboxamide
CID 113304301
(2-oxo-2-quinoxalin-2-ylethyl) acetate
CID 119091259
N-(3-hydroxy-4-methoxybutyl)quinoxaline-2-carboxamide
CID 103877657
ethyl quinoxaline-2-carboxylate
CID 582701
(2S)-2-amino-3-(quinoxaline-2-carbonylamino)propanoic acid
CID 67154498

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropoxy)quinoxaline-2-carboxamide?
The IUPAC name of N-(2-methylpropoxy)quinoxaline-2-carboxamide (CID 113304479) is N-(2-methylpropoxy)quinoxaline-2-carboxamide.
What is the SMILES notation for N-(2-methylpropoxy)quinoxaline-2-carboxamide?
The canonical SMILES for N-(2-methylpropoxy)quinoxaline-2-carboxamide is CC(C)CONC(=O)c1cnc2ccccc2n1.
What is the InChIKey of N-(2-methylpropoxy)quinoxaline-2-carboxamide?
The InChIKey is VGLAPTLKEGTSSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c1-9(2)8-18-16-13(17)12-7-14-10-5-3-4-6-11(10)15-12/h3-7,9H,8H2,1-2H3,(H,16,17).
What are the key properties of N-(2-methylpropoxy)quinoxaline-2-carboxamide?
N-(2-methylpropoxy)quinoxaline-2-carboxamide has a molecular weight of 245.28 g/mol, XLogP of 1.95, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropoxy)quinoxaline-2-carboxamide is sourced from PubChem (CID 113304479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).