3-pentylquinoxaline-2-carboxamide

C14H17N3O — CID 141031163

IUPAC3-pentylquinoxaline-2-carboxamide
SMILESCCCCCc1nc2ccccc2nc1C(N)=O
InChIInChI=1S/C14H17N3O/c1-2-3-4-9-12-13(14(15)18)17-11-8-6-5-7-10(11)16-12/h5-8H,2-4,9H2,1H3,(H2,15,18)
InChIKeyCICKTQVAGUBPLG-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.46
Rot. Bonds5

About 3-pentylquinoxaline-2-carboxamide

3-pentylquinoxaline-2-carboxamide (PubChem CID 141031163) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 3-pentylquinoxaline-2-carboxamide.

Molecular Properties

Compound Name3-pentylquinoxaline-2-carboxamide
PubChem CID141031163
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name3-pentylquinoxaline-2-carboxamide
SMILESCCCCCc1nc2ccccc2nc1C(N)=O
InChIInChI=1S/C14H17N3O/c1-2-3-4-9-12-13(14(15)18)17-11-8-6-5-7-10(11)16-12/h5-8H,2-4,9H2,1H3,(H2,15,18)
InChIKeyCICKTQVAGUBPLG-UHFFFAOYSA-N
XLogP2.46
TPSA68.87 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.46
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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Related Compounds

2,3-dibutylquinoxaline
CID 14641798
4,6-dihexylbenzene-1,3-dicarboxamide
CID 140600774
(3-butylquinoxalin-2-yl)hydrazine
CID 119088343
3-hexylpyridine-2,6-dicarboxamide
CID 70459845
5-octadecyl-2-phenyl-1,3-thiazole-4-carboxamide
CID 69099087
2-pentylnaphthalene-1-carboxamide
CID 154106171
3-hexyl-1,4-benzoxazin-2-one
CID 102299494
ethyl 2-methyl-4-pentylquinoline-3-carboxylate
CID 45141729
sodium 3-carbamoylquinoxaline-2-carboxylate
CID 135044393
2-octylbenzamide
CID 11148995
3-(3-hydroxypropyl)quinoline-2,4-dicarboxamide
CID 118171708
1-butylimidazo[4,5-c]quinoline-4-carboxamide
CID 25006952

Frequently Asked Questions

What is the IUPAC name of 3-pentylquinoxaline-2-carboxamide?
The IUPAC name of 3-pentylquinoxaline-2-carboxamide (CID 141031163) is 3-pentylquinoxaline-2-carboxamide.
What is the SMILES notation for 3-pentylquinoxaline-2-carboxamide?
The canonical SMILES for 3-pentylquinoxaline-2-carboxamide is CCCCCc1nc2ccccc2nc1C(N)=O.
What is the InChIKey of 3-pentylquinoxaline-2-carboxamide?
The InChIKey is CICKTQVAGUBPLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-2-3-4-9-12-13(14(15)18)17-11-8-6-5-7-10(11)16-12/h5-8H,2-4,9H2,1H3,(H2,15,18).
What are the key properties of 3-pentylquinoxaline-2-carboxamide?
3-pentylquinoxaline-2-carboxamide has a molecular weight of 243.31 g/mol, XLogP of 2.46, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pentylquinoxaline-2-carboxamide is sourced from PubChem (CID 141031163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).