N-prop-2-enylquinoxaline-6-carboxamide

C12H11N3O — CID 2256092

IUPACN-prop-2-enylquinoxaline-6-carboxamide
SMILESC=CCNC(=O)c1ccc2nccnc2c1
InChIInChI=1S/C12H11N3O/c1-2-5-15-12(16)9-3-4-10-11(8-9)14-7-6-13-10/h2-4,6-8H,1,5H2,(H,15,16)
InChIKeyYLPQNNNQGBECNA-UHFFFAOYSA-N
MW213.24 g/mol
LogP1.55
Rot. Bonds3

About N-prop-2-enylquinoxaline-6-carboxamide

N-prop-2-enylquinoxaline-6-carboxamide (PubChem CID 2256092) has the molecular formula C12H11N3O and a molecular weight of 213.24 g/mol. Its IUPAC name is N-prop-2-enylquinoxaline-6-carboxamide.

Molecular Properties

Compound NameN-prop-2-enylquinoxaline-6-carboxamide
PubChem CID2256092
Molecular FormulaC12H11N3O
Molecular Weight213.24 g/mol
Exact Mass213.09
IUPAC NameN-prop-2-enylquinoxaline-6-carboxamide
SMILESC=CCNC(=O)c1ccc2nccnc2c1
InChIInChI=1S/C12H11N3O/c1-2-5-15-12(16)9-3-4-10-11(8-9)14-7-6-13-10/h2-4,6-8H,1,5H2,(H,15,16)
InChIKeyYLPQNNNQGBECNA-UHFFFAOYSA-N
XLogP1.55
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-bromopropyl)quinoxaline-6-carboxamide
CID 62874705
N-prop-2-enyl-4-[4-(prop-2-enylcarbamoyl)phenyl]benzamide
CID 3714314
N-[[1-(hydroxymethyl)cyclopropyl]methyl]quinoxaline-6-carboxamide
CID 80716840
N-prop-2-enyl-1,2,3-benzothiadiazole-5-carboxamide
CID 3149527
1-N,3-N,5-N-tris(prop-2-enyl)benzene-1,3,5-tricarboxamide
CID 54451991
N-(2-phenylethyl)quinoxaline-6-carboxamide
CID 858929
2-N,5-N-bis(prop-2-enyl)pyridine-2,5-dicarboxamide
CID 4069560
N-[(2-aminophenyl)methyl]quinoxaline-6-carboxamide
CID 62849872
3-N-(4-acetylphenyl)-1-N-prop-2-enylbenzene-1,3-dicarboxamide
CID 109051001
N-prop-2-enylpyrazolo[1,5-a]pyridine-5-carboxamide
CID 134799840
methyl 2-iodo-3-(quinoxaline-6-carbonylamino)propanoate
CID 103493378
N-(2-hydroxy-2-methylpentyl)quinoxaline-6-carboxamide
CID 103713237

Frequently Asked Questions

What is the IUPAC name of N-prop-2-enylquinoxaline-6-carboxamide?
The IUPAC name of N-prop-2-enylquinoxaline-6-carboxamide (CID 2256092) is N-prop-2-enylquinoxaline-6-carboxamide.
What is the SMILES notation for N-prop-2-enylquinoxaline-6-carboxamide?
The canonical SMILES for N-prop-2-enylquinoxaline-6-carboxamide is C=CCNC(=O)c1ccc2nccnc2c1.
What is the InChIKey of N-prop-2-enylquinoxaline-6-carboxamide?
The InChIKey is YLPQNNNQGBECNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O/c1-2-5-15-12(16)9-3-4-10-11(8-9)14-7-6-13-10/h2-4,6-8H,1,5H2,(H,15,16).
What are the key properties of N-prop-2-enylquinoxaline-6-carboxamide?
N-prop-2-enylquinoxaline-6-carboxamide has a molecular weight of 213.24 g/mol, XLogP of 1.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-2-enylquinoxaline-6-carboxamide is sourced from PubChem (CID 2256092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).