N-butylquinoxaline-2-carboxamide

C13H15N3O — CID 36710965

IUPACN-butylquinoxaline-2-carboxamide
SMILESCCCCNC(=O)c1cnc2ccccc2n1
InChIInChI=1S/C13H15N3O/c1-2-3-8-14-13(17)12-9-15-10-6-4-5-7-11(10)16-12/h4-7,9H,2-3,8H2,1H3,(H,14,17)
InChIKeyQYXJJXRZSITNEP-UHFFFAOYSA-N
MW229.28 g/mol
LogP2.16
Rot. Bonds4

About N-butylquinoxaline-2-carboxamide

N-butylquinoxaline-2-carboxamide (PubChem CID 36710965) has the molecular formula C13H15N3O and a molecular weight of 229.28 g/mol. Its IUPAC name is N-butylquinoxaline-2-carboxamide.

Molecular Properties

Compound NameN-butylquinoxaline-2-carboxamide
PubChem CID36710965
Molecular FormulaC13H15N3O
Molecular Weight229.28 g/mol
Exact Mass229.12
IUPAC NameN-butylquinoxaline-2-carboxamide
SMILESCCCCNC(=O)c1cnc2ccccc2n1
InChIInChI=1S/C13H15N3O/c1-2-3-8-14-13(17)12-9-15-10-6-4-5-7-11(10)16-12/h4-7,9H,2-3,8H2,1H3,(H,14,17)
InChIKeyQYXJJXRZSITNEP-UHFFFAOYSA-N
XLogP2.16
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-butylquinoxaline-2-carboxamide?
The IUPAC name of N-butylquinoxaline-2-carboxamide (CID 36710965) is N-butylquinoxaline-2-carboxamide.
What is the SMILES notation for N-butylquinoxaline-2-carboxamide?
The canonical SMILES for N-butylquinoxaline-2-carboxamide is CCCCNC(=O)c1cnc2ccccc2n1.
What is the InChIKey of N-butylquinoxaline-2-carboxamide?
The InChIKey is QYXJJXRZSITNEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O/c1-2-3-8-14-13(17)12-9-15-10-6-4-5-7-11(10)16-12/h4-7,9H,2-3,8H2,1H3,(H,14,17).
What are the key properties of N-butylquinoxaline-2-carboxamide?
N-butylquinoxaline-2-carboxamide has a molecular weight of 229.28 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butylquinoxaline-2-carboxamide is sourced from PubChem (CID 36710965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).