N-but-3-enylquinoxaline-2-carboxamide

C13H13N3O — CID 113466022

IUPACN-but-3-enylquinoxaline-2-carboxamide
SMILESC=CCCNC(=O)c1cnc2ccccc2n1
InChIInChI=1S/C13H13N3O/c1-2-3-8-14-13(17)12-9-15-10-6-4-5-7-11(10)16-12/h2,4-7,9H,1,3,8H2,(H,14,17)
InChIKeyPJMHFBJIXLJKNS-UHFFFAOYSA-N
MW227.27 g/mol
LogP1.94
Rot. Bonds4

About N-but-3-enylquinoxaline-2-carboxamide

N-but-3-enylquinoxaline-2-carboxamide (PubChem CID 113466022) has the molecular formula C13H13N3O and a molecular weight of 227.27 g/mol. Its IUPAC name is N-but-3-enylquinoxaline-2-carboxamide.

Molecular Properties

Compound NameN-but-3-enylquinoxaline-2-carboxamide
PubChem CID113466022
Molecular FormulaC13H13N3O
Molecular Weight227.27 g/mol
Exact Mass227.11
IUPAC NameN-but-3-enylquinoxaline-2-carboxamide
SMILESC=CCCNC(=O)c1cnc2ccccc2n1
InChIInChI=1S/C13H13N3O/c1-2-3-8-14-13(17)12-9-15-10-6-4-5-7-11(10)16-12/h2,4-7,9H,1,3,8H2,(H,14,17)
InChIKeyPJMHFBJIXLJKNS-UHFFFAOYSA-N
XLogP1.94
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.27
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Nps 2390
CID 7067728
Quinoxaline-2-carboxamide
CID 78857
(3R,4R)-4-(pyrrolidin-1-ylcarbonyl)-1-(quinoxalin-2-ylcarbonyl)pyrrolidin-3-amine
CID 24752844
N-(2-phenylethyl)quinoxaline-2-carboxamide
CID 5300647
N-(2-fluorophenyl)-2-pyrazinecarboxamide
CID 803568
BG-45
CID 16773791
N-(2-phenylpropyl)quinoxaline-2-carboxamide
CID 22136331
Pyridine-2-carboxylic acid (2-amino-phenyl)-amide
CID 817096
N-(4-methylphenyl)pyrazine-2-carboxamide
CID 746705
N-pyridin-3-ylquinoxaline-2-carboxamide
CID 3237194
N-cyclopentylquinoxaline-2-carboxamide
CID 3432949
N-(3-methylphenyl)pyrazine-2-carboxamide
CID 743190

Frequently Asked Questions

What is the IUPAC name of N-but-3-enylquinoxaline-2-carboxamide?
The IUPAC name of N-but-3-enylquinoxaline-2-carboxamide (CID 113466022) is N-but-3-enylquinoxaline-2-carboxamide.
What is the SMILES notation for N-but-3-enylquinoxaline-2-carboxamide?
The canonical SMILES for N-but-3-enylquinoxaline-2-carboxamide is C=CCCNC(=O)c1cnc2ccccc2n1.
What is the InChIKey of N-but-3-enylquinoxaline-2-carboxamide?
The InChIKey is PJMHFBJIXLJKNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O/c1-2-3-8-14-13(17)12-9-15-10-6-4-5-7-11(10)16-12/h2,4-7,9H,1,3,8H2,(H,14,17).
What are the key properties of N-but-3-enylquinoxaline-2-carboxamide?
N-but-3-enylquinoxaline-2-carboxamide has a molecular weight of 227.27 g/mol, XLogP of 1.94, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-but-3-enylquinoxaline-2-carboxamide is sourced from PubChem (CID 113466022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).