N-(4-aminobutan-2-yl)quinoxaline-5-carboxamide

C13H16N4O — CID 104613993

IUPACN-(4-aminobutan-2-yl)quinoxaline-5-carboxamide
SMILESCC(CCN)NC(=O)c1cccc2nccnc12
InChIInChI=1S/C13H16N4O/c1-9(5-6-14)17-13(18)10-3-2-4-11-12(10)16-8-7-15-11/h2-4,7-9H,5-6,14H2,1H3,(H,17,18)
InChIKeyJGNASDABOOIMRU-UHFFFAOYSA-N
MW244.30 g/mol
LogP1.10
Rot. Bonds4

About N-(4-aminobutan-2-yl)quinoxaline-5-carboxamide

N-(4-aminobutan-2-yl)quinoxaline-5-carboxamide (PubChem CID 104613993) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is N-(4-aminobutan-2-yl)quinoxaline-5-carboxamide.

Molecular Properties

Compound NameN-(4-aminobutan-2-yl)quinoxaline-5-carboxamide
PubChem CID104613993
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC NameN-(4-aminobutan-2-yl)quinoxaline-5-carboxamide
SMILESCC(CCN)NC(=O)c1cccc2nccnc12
InChIInChI=1S/C13H16N4O/c1-9(5-6-14)17-13(18)10-3-2-4-11-12(10)16-8-7-15-11/h2-4,7-9H,5-6,14H2,1H3,(H,17,18)
InChIKeyJGNASDABOOIMRU-UHFFFAOYSA-N
XLogP1.10
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-butan-2-ylquinoxaline-5-carboxamide
CID 110701330
N-(4-amino-4-sulfanylidenebutan-2-yl)quinoxaline-5-carboxamide
CID 104614301
N-(1-amino-1-sulfanylidenepropan-2-yl)quinoxaline-5-carboxamide
CID 104614287
N-(4-aminobutan-2-yl)-1H-benzimidazole-4-carboxamide
CID 91470485
N-(2-methylpropoxy)quinoxaline-5-carboxamide
CID 104578317
N-(1,1-dimethoxypropan-2-yl)quinoxaline-5-carboxamide
CID 104614319
N-(3-chlorobutyl)quinoxaline-5-carboxamide
CID 104615743
N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]quinoxaline-5-carboxamide
CID 131925216
N-(2-hydroxy-3-methylbutyl)quinoxaline-5-carboxamide
CID 104580610
N-[2-(propan-2-ylamino)ethyl]quinoxaline-5-carboxamide
CID 104615463
N-(2-methoxyethoxy)quinoxaline-5-carboxamide
CID 113428897
N-[5-(aminomethyl)-2-pyridinyl]quinoxaline-5-carboxamide
CID 104613994

Frequently Asked Questions

What is the IUPAC name of N-(4-aminobutan-2-yl)quinoxaline-5-carboxamide?
The IUPAC name of N-(4-aminobutan-2-yl)quinoxaline-5-carboxamide (CID 104613993) is N-(4-aminobutan-2-yl)quinoxaline-5-carboxamide.
What is the SMILES notation for N-(4-aminobutan-2-yl)quinoxaline-5-carboxamide?
The canonical SMILES for N-(4-aminobutan-2-yl)quinoxaline-5-carboxamide is CC(CCN)NC(=O)c1cccc2nccnc12.
What is the InChIKey of N-(4-aminobutan-2-yl)quinoxaline-5-carboxamide?
The InChIKey is JGNASDABOOIMRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O/c1-9(5-6-14)17-13(18)10-3-2-4-11-12(10)16-8-7-15-11/h2-4,7-9H,5-6,14H2,1H3,(H,17,18).
What are the key properties of N-(4-aminobutan-2-yl)quinoxaline-5-carboxamide?
N-(4-aminobutan-2-yl)quinoxaline-5-carboxamide has a molecular weight of 244.30 g/mol, XLogP of 1.10, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminobutan-2-yl)quinoxaline-5-carboxamide is sourced from PubChem (CID 104613993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).