N-(2-methylpropoxy)quinoxaline-5-carboxamide

C13H15N3O2 — CID 104578317

IUPACN-(2-methylpropoxy)quinoxaline-5-carboxamide
SMILESCC(C)CONC(=O)c1cccc2nccnc12
InChIInChI=1S/C13H15N3O2/c1-9(2)8-18-16-13(17)10-4-3-5-11-12(10)15-7-6-14-11/h3-7,9H,8H2,1-2H3,(H,16,17)
InChIKeyFMXJSABVWWTCOC-UHFFFAOYSA-N
MW245.28 g/mol
LogP1.95
Rot. Bonds4

About N-(2-methylpropoxy)quinoxaline-5-carboxamide

N-(2-methylpropoxy)quinoxaline-5-carboxamide (PubChem CID 104578317) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is N-(2-methylpropoxy)quinoxaline-5-carboxamide.

Molecular Properties

Compound NameN-(2-methylpropoxy)quinoxaline-5-carboxamide
PubChem CID104578317
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC NameN-(2-methylpropoxy)quinoxaline-5-carboxamide
SMILESCC(C)CONC(=O)c1cccc2nccnc12
InChIInChI=1S/C13H15N3O2/c1-9(2)8-18-16-13(17)10-4-3-5-11-12(10)15-7-6-14-11/h3-7,9H,8H2,1-2H3,(H,16,17)
InChIKeyFMXJSABVWWTCOC-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'}

Analyze N-(2-methylpropoxy)quinoxaline-5-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

N-(2-methoxyethoxy)quinoxaline-5-carboxamide
CID 113428897
N-(2-methylpropoxy)quinoline-4-carboxamide
CID 113304301
N-(4-aminobutan-2-yl)quinoxaline-5-carboxamide
CID 104613993
2,3-dihydroxy-N-(2-methylpropoxy)benzamide
CID 114344886
N-butan-2-ylquinoxaline-5-carboxamide
CID 110701330
2-(quinoxaline-5-carbonylamino)ethyl acetate
CID 150834987
N-[2-(propan-2-ylamino)ethyl]quinoxaline-5-carboxamide
CID 104615463
N-(2-hydroxy-3-methylbutyl)quinoxaline-5-carboxamide
CID 104580610
N-(1-amino-1-sulfanylidenepropan-2-yl)quinoxaline-5-carboxamide
CID 104614287
N-(1,1-dimethoxypropan-2-yl)quinoxaline-5-carboxamide
CID 104614319
N-(4-amino-4-sulfanylidenebutan-2-yl)quinoxaline-5-carboxamide
CID 104614301
N-(2-methylpropoxy)quinoxaline-6-carboxamide
CID 113304462

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropoxy)quinoxaline-5-carboxamide?
The IUPAC name of N-(2-methylpropoxy)quinoxaline-5-carboxamide (CID 104578317) is N-(2-methylpropoxy)quinoxaline-5-carboxamide.
What is the SMILES notation for N-(2-methylpropoxy)quinoxaline-5-carboxamide?
The canonical SMILES for N-(2-methylpropoxy)quinoxaline-5-carboxamide is CC(C)CONC(=O)c1cccc2nccnc12.
What is the InChIKey of N-(2-methylpropoxy)quinoxaline-5-carboxamide?
The InChIKey is FMXJSABVWWTCOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c1-9(2)8-18-16-13(17)10-4-3-5-11-12(10)15-7-6-14-11/h3-7,9H,8H2,1-2H3,(H,16,17).
What are the key properties of N-(2-methylpropoxy)quinoxaline-5-carboxamide?
N-(2-methylpropoxy)quinoxaline-5-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-5-carboxamide is sourced from PubChem (CID 104578317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).