N-pent-4-ynylquinoxaline-5-carboxamide

C14H13N3O — CID 113428882

IUPACN-pent-4-ynylquinoxaline-5-carboxamide
SMILESC#CCCCNC(=O)c1cccc2nccnc12
InChIInChI=1S/C14H13N3O/c1-2-3-4-8-17-14(18)11-6-5-7-12-13(11)16-10-9-15-12/h1,5-7,9-10H,3-4,8H2,(H,17,18)
InChIKeyGAHPJGRTKNWOLK-UHFFFAOYSA-N
MW239.28 g/mol
LogP1.77
Rot. Bonds4

About N-pent-4-ynylquinoxaline-5-carboxamide

N-pent-4-ynylquinoxaline-5-carboxamide (PubChem CID 113428882) has the molecular formula C14H13N3O and a molecular weight of 239.28 g/mol. Its IUPAC name is N-pent-4-ynylquinoxaline-5-carboxamide.

Molecular Properties

Compound NameN-pent-4-ynylquinoxaline-5-carboxamide
PubChem CID113428882
Molecular FormulaC14H13N3O
Molecular Weight239.28 g/mol
Exact Mass239.11
IUPAC NameN-pent-4-ynylquinoxaline-5-carboxamide
SMILESC#CCCCNC(=O)c1cccc2nccnc12
InChIInChI=1S/C14H13N3O/c1-2-3-4-8-17-14(18)11-6-5-7-12-13(11)16-10-9-15-12/h1,5-7,9-10H,3-4,8H2,(H,17,18)
InChIKeyGAHPJGRTKNWOLK-UHFFFAOYSA-N
XLogP1.77
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(ethylamino)propyl]quinoxaline-5-carboxamide
CID 104615443
2-bromo-N-pent-4-ynylpyridine-3-carboxamide
CID 103755606
N-(cyanomethyl)quinoxaline-5-carboxamide
CID 104580010
N-[2-(propan-2-ylamino)ethyl]quinoxaline-5-carboxamide
CID 104615463
N-[2-(methanesulfonamido)ethyl]quinoxaline-5-carboxamide
CID 74240949
2-(quinoxaline-5-carbonylamino)ethyl acetate
CID 150834987
N-(3-chlorobutyl)quinoxaline-5-carboxamide
CID 104615743
3-amino-2-hydroxy-N-pent-4-ynylbenzamide
CID 106219804
2-iodo-N-pent-4-ynylbenzamide
CID 103709110
3-amino-2-bromo-N-pent-4-ynylbenzamide
CID 106219842
2-chloro-3-fluoro-N-pent-4-ynylbenzamide
CID 103708843
2-ethyl-N-pent-4-ynylbenzamide
CID 103816602

Frequently Asked Questions

What is the IUPAC name of N-pent-4-ynylquinoxaline-5-carboxamide?
The IUPAC name of N-pent-4-ynylquinoxaline-5-carboxamide (CID 113428882) is N-pent-4-ynylquinoxaline-5-carboxamide.
What is the SMILES notation for N-pent-4-ynylquinoxaline-5-carboxamide?
The canonical SMILES for N-pent-4-ynylquinoxaline-5-carboxamide is C#CCCCNC(=O)c1cccc2nccnc12.
What is the InChIKey of N-pent-4-ynylquinoxaline-5-carboxamide?
The InChIKey is GAHPJGRTKNWOLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O/c1-2-3-4-8-17-14(18)11-6-5-7-12-13(11)16-10-9-15-12/h1,5-7,9-10H,3-4,8H2,(H,17,18).
What are the key properties of N-pent-4-ynylquinoxaline-5-carboxamide?
N-pent-4-ynylquinoxaline-5-carboxamide has a molecular weight of 239.28 g/mol, XLogP of 1.77, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-pent-4-ynylquinoxaline-5-carboxamide is sourced from PubChem (CID 113428882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).