N-(1,1-dimethoxypropan-2-yl)quinoxaline-5-carboxamide

C14H17N3O3 — CID 104614319

IUPACN-(1,1-dimethoxypropan-2-yl)quinoxaline-5-carboxamide
SMILESCOC(OC)C(C)NC(=O)c1cccc2nccnc12
InChIInChI=1S/C14H17N3O3/c1-9(14(19-2)20-3)17-13(18)10-5-4-6-11-12(10)16-8-7-15-11/h4-9,14H,1-3H3,(H,17,18)
InChIKeyDCEVWEOWNIJMIB-UHFFFAOYSA-N
MW275.31 g/mol
LogP1.37
Rot. Bonds5

About N-(1,1-dimethoxypropan-2-yl)quinoxaline-5-carboxamide

N-(1,1-dimethoxypropan-2-yl)quinoxaline-5-carboxamide (PubChem CID 104614319) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is N-(1,1-dimethoxypropan-2-yl)quinoxaline-5-carboxamide.

Molecular Properties

Compound NameN-(1,1-dimethoxypropan-2-yl)quinoxaline-5-carboxamide
PubChem CID104614319
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC NameN-(1,1-dimethoxypropan-2-yl)quinoxaline-5-carboxamide
SMILESCOC(OC)C(C)NC(=O)c1cccc2nccnc12
InChIInChI=1S/C14H17N3O3/c1-9(14(19-2)20-3)17-13(18)10-5-4-6-11-12(10)16-8-7-15-11/h4-9,14H,1-3H3,(H,17,18)
InChIKeyDCEVWEOWNIJMIB-UHFFFAOYSA-N
XLogP1.37
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-butan-2-ylquinoxaline-5-carboxamide
CID 110701330
N-(1-amino-1-sulfanylidenepropan-2-yl)quinoxaline-5-carboxamide
CID 104614287
N-(4-aminobutan-2-yl)quinoxaline-5-carboxamide
CID 104613993
N-(cyanomethyl)quinoxaline-5-carboxamide
CID 104580010
N-(2-methylpropoxy)quinoxaline-5-carboxamide
CID 104578317
N-(4-amino-4-sulfanylidenebutan-2-yl)quinoxaline-5-carboxamide
CID 104614301
N-(2-methoxyethoxy)quinoxaline-5-carboxamide
CID 113428897
N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]quinoxaline-5-carboxamide
CID 131925216
2-bromo-N-(1,1-dimethoxypropan-2-yl)-3-methylbenzamide
CID 107982303
3-bromo-N-(1,1-dimethoxypropan-2-yl)-2-fluorobenzamide
CID 107951282
N-(1,1-dimethoxypropan-2-yl)-2-iodo-3-methylbenzamide
CID 114030618
N-(2-hydroxy-3-methylbutyl)quinoxaline-5-carboxamide
CID 104580610

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dimethoxypropan-2-yl)quinoxaline-5-carboxamide?
The IUPAC name of N-(1,1-dimethoxypropan-2-yl)quinoxaline-5-carboxamide (CID 104614319) is N-(1,1-dimethoxypropan-2-yl)quinoxaline-5-carboxamide.
What is the SMILES notation for N-(1,1-dimethoxypropan-2-yl)quinoxaline-5-carboxamide?
The canonical SMILES for N-(1,1-dimethoxypropan-2-yl)quinoxaline-5-carboxamide is COC(OC)C(C)NC(=O)c1cccc2nccnc12.
What is the InChIKey of N-(1,1-dimethoxypropan-2-yl)quinoxaline-5-carboxamide?
The InChIKey is DCEVWEOWNIJMIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3/c1-9(14(19-2)20-3)17-13(18)10-5-4-6-11-12(10)16-8-7-15-11/h4-9,14H,1-3H3,(H,17,18).
What are the key properties of N-(1,1-dimethoxypropan-2-yl)quinoxaline-5-carboxamide?
N-(1,1-dimethoxypropan-2-yl)quinoxaline-5-carboxamide has a molecular weight of 275.31 g/mol, XLogP of 1.37, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dimethoxypropan-2-yl)quinoxaline-5-carboxamide is sourced from PubChem (CID 104614319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).