N-(3-bromo-4-methoxybutyl)quinoxaline-5-carboxamide

C14H16BrN3O2 — CID 106245167

IUPACN-(3-bromo-4-methoxybutyl)quinoxaline-5-carboxamide
SMILESCOCC(Br)CCNC(=O)c1cccc2nccnc12
InChIInChI=1S/C14H16BrN3O2/c1-20-9-10(15)5-6-18-14(19)11-3-2-4-12-13(11)17-8-7-16-12/h2-4,7-8,10H,5-6,9H2,1H3,(H,18,19)
InChIKeyMXXUQUAEPVWCCN-UHFFFAOYSA-N
MW338.20 g/mol
LogP2.16
Rot. Bonds6

About N-(3-bromo-4-methoxybutyl)quinoxaline-5-carboxamide

N-(3-bromo-4-methoxybutyl)quinoxaline-5-carboxamide (PubChem CID 106245167) has the molecular formula C14H16BrN3O2 and a molecular weight of 338.20 g/mol. Its IUPAC name is N-(3-bromo-4-methoxybutyl)quinoxaline-5-carboxamide.

Molecular Properties

Compound NameN-(3-bromo-4-methoxybutyl)quinoxaline-5-carboxamide
PubChem CID106245167
Molecular FormulaC14H16BrN3O2
Molecular Weight338.20 g/mol
Exact Mass337.04
IUPAC NameN-(3-bromo-4-methoxybutyl)quinoxaline-5-carboxamide
SMILESCOCC(Br)CCNC(=O)c1cccc2nccnc12
InChIInChI=1S/C14H16BrN3O2/c1-20-9-10(15)5-6-18-14(19)11-3-2-4-12-13(11)17-8-7-16-12/h2-4,7-8,10H,5-6,9H2,1H3,(H,18,19)
InChIKeyMXXUQUAEPVWCCN-UHFFFAOYSA-N
XLogP2.16
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.20
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-chlorobutyl)quinoxaline-5-carboxamide
CID 104615743
2-(quinoxaline-5-carbonylamino)ethyl acetate
CID 150834987
N-(3-bromo-4-methoxybutyl)-2-hydroxy-3-methylbenzamide
CID 106245322
N-[2-(propan-2-ylamino)ethyl]quinoxaline-5-carboxamide
CID 104615463
N-(3-bromo-4-methoxybutyl)-2,6-difluorobenzamide
CID 106244803
N-(2-methoxyethoxy)quinoxaline-5-carboxamide
CID 113428897
N-(3-bromo-4-methoxybutyl)-2-ethoxybenzamide
CID 106245092
N-(cyanomethyl)quinoxaline-5-carboxamide
CID 104580010
N-[2-(methanesulfonamido)ethyl]quinoxaline-5-carboxamide
CID 74240949
N-(3-bromo-4-methoxybutyl)-3-hydroxypyridine-4-carboxamide
CID 106244891
N-[3-(ethylamino)propyl]quinoxaline-5-carboxamide
CID 104615443
N-(3-bromo-4-methoxybutyl)thiophene-2-carboxamide
CID 106245034

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-4-methoxybutyl)quinoxaline-5-carboxamide?
The IUPAC name of N-(3-bromo-4-methoxybutyl)quinoxaline-5-carboxamide (CID 106245167) is N-(3-bromo-4-methoxybutyl)quinoxaline-5-carboxamide.
What is the SMILES notation for N-(3-bromo-4-methoxybutyl)quinoxaline-5-carboxamide?
The canonical SMILES for N-(3-bromo-4-methoxybutyl)quinoxaline-5-carboxamide is COCC(Br)CCNC(=O)c1cccc2nccnc12.
What is the InChIKey of N-(3-bromo-4-methoxybutyl)quinoxaline-5-carboxamide?
The InChIKey is MXXUQUAEPVWCCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN3O2/c1-20-9-10(15)5-6-18-14(19)11-3-2-4-12-13(11)17-8-7-16-12/h2-4,7-8,10H,5-6,9H2,1H3,(H,18,19).
What are the key properties of N-(3-bromo-4-methoxybutyl)quinoxaline-5-carboxamide?
N-(3-bromo-4-methoxybutyl)quinoxaline-5-carboxamide has a molecular weight of 338.20 g/mol, XLogP of 2.16, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-4-methoxybutyl)quinoxaline-5-carboxamide is sourced from PubChem (CID 106245167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).