N-[(3-methoxyquinoxalin-5-yl)methyl]formamide

C11H11N3O2 — CID 87510737

IUPACN-[(3-methoxyquinoxalin-5-yl)methyl]formamide
SMILESCOc1cnc2cccc(CNC=O)c2n1
InChIInChI=1S/C11H11N3O2/c1-16-10-6-13-9-4-2-3-8(5-12-7-15)11(9)14-10/h2-4,6-7H,5H2,1H3,(H,12,15)
InChIKeyRNUPBNLZCBVAIS-UHFFFAOYSA-N
MW217.23 g/mol
LogP0.88
Rot. Bonds4

About N-[(3-methoxyquinoxalin-5-yl)methyl]formamide

N-[(3-methoxyquinoxalin-5-yl)methyl]formamide (PubChem CID 87510737) has the molecular formula C11H11N3O2 and a molecular weight of 217.23 g/mol. Its IUPAC name is N-[(3-methoxyquinoxalin-5-yl)methyl]formamide.

Molecular Properties

Compound NameN-[(3-methoxyquinoxalin-5-yl)methyl]formamide
PubChem CID87510737
Molecular FormulaC11H11N3O2
Molecular Weight217.23 g/mol
Exact Mass217.09
IUPAC NameN-[(3-methoxyquinoxalin-5-yl)methyl]formamide
SMILESCOc1cnc2cccc(CNC=O)c2n1
InChIInChI=1S/C11H11N3O2/c1-16-10-6-13-9-4-2-3-8(5-12-7-15)11(9)14-10/h2-4,6-7H,5H2,1H3,(H,12,15)
InChIKeyRNUPBNLZCBVAIS-UHFFFAOYSA-N
XLogP0.88
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.23
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxyquinoxalin-5-yl)methyl]formamide?
The IUPAC name of N-[(3-methoxyquinoxalin-5-yl)methyl]formamide (CID 87510737) is N-[(3-methoxyquinoxalin-5-yl)methyl]formamide.
What is the SMILES notation for N-[(3-methoxyquinoxalin-5-yl)methyl]formamide?
The canonical SMILES for N-[(3-methoxyquinoxalin-5-yl)methyl]formamide is COc1cnc2cccc(CNC=O)c2n1.
What is the InChIKey of N-[(3-methoxyquinoxalin-5-yl)methyl]formamide?
The InChIKey is RNUPBNLZCBVAIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O2/c1-16-10-6-13-9-4-2-3-8(5-12-7-15)11(9)14-10/h2-4,6-7H,5H2,1H3,(H,12,15).
What are the key properties of N-[(3-methoxyquinoxalin-5-yl)methyl]formamide?
N-[(3-methoxyquinoxalin-5-yl)methyl]formamide has a molecular weight of 217.23 g/mol, XLogP of 0.88, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxyquinoxalin-5-yl)methyl]formamide is sourced from PubChem (CID 87510737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).