N-(2-bromoethyl)-N-butylquinoxaline-6-carboxamide

C15H18BrN3O — CID 80659192

IUPACN-(2-bromoethyl)-N-butylquinoxaline-6-carboxamide
SMILESCCCCN(CCBr)C(=O)c1ccc2nccnc2c1
InChIInChI=1S/C15H18BrN3O/c1-2-3-9-19(10-6-16)15(20)12-4-5-13-14(11-12)18-8-7-17-13/h4-5,7-8,11H,2-3,6,9-10H2,1H3
InChIKeyFPJYRQVMJRHSJK-UHFFFAOYSA-N
MW336.23 g/mol
LogP3.27
Rot. Bonds6

About N-(2-bromoethyl)-N-butylquinoxaline-6-carboxamide

N-(2-bromoethyl)-N-butylquinoxaline-6-carboxamide (PubChem CID 80659192) has the molecular formula C15H18BrN3O and a molecular weight of 336.23 g/mol. Its IUPAC name is N-(2-bromoethyl)-N-butylquinoxaline-6-carboxamide.

Molecular Properties

Compound NameN-(2-bromoethyl)-N-butylquinoxaline-6-carboxamide
PubChem CID80659192
Molecular FormulaC15H18BrN3O
Molecular Weight336.23 g/mol
Exact Mass335.06
IUPAC NameN-(2-bromoethyl)-N-butylquinoxaline-6-carboxamide
SMILESCCCCN(CCBr)C(=O)c1ccc2nccnc2c1
InChIInChI=1S/C15H18BrN3O/c1-2-3-9-19(10-6-16)15(20)12-4-5-13-14(11-12)18-8-7-17-13/h4-5,7-8,11H,2-3,6,9-10H2,1H3
InChIKeyFPJYRQVMJRHSJK-UHFFFAOYSA-N
XLogP3.27
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.23
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-chloroethyl)-N-ethylquinoxaline-6-carboxamide
CID 55186656
N-(2-bromoethyl)-N-butylpyrimidine-5-carboxamide
CID 102922718
N-(cyanomethyl)-N-ethylquinoxaline-6-carboxamide
CID 55118335
4-amino-N,N-dibutyl-3-methylbenzamide
CID 28982328
2-bromo-N-butyl-N-ethylpyridine-4-carboxamide
CID 103751876
3-bromo-N,N-dibutyl-4-fluorobenzamide
CID 103706821
N-(3-bromopropyl)quinoxaline-6-carboxamide
CID 62874705
N-butyl-N-(2-hydroxyethyl)-2-methylpyridine-4-carboxamide
CID 106753379
N,N-dibutylnaphthalene-2-carboxamide
CID 154151885
2-chloro-N,N-dipentylpyridine-4-carboxamide
CID 60776125
N-(2-bromoethyl)-N-butyl-4-chloro-2-methylbenzamide
CID 114028179
N-(2-bromoethyl)-N-butyl-2,6-difluorobenzamide
CID 80658889

Frequently Asked Questions

What is the IUPAC name of N-(2-bromoethyl)-N-butylquinoxaline-6-carboxamide?
The IUPAC name of N-(2-bromoethyl)-N-butylquinoxaline-6-carboxamide (CID 80659192) is N-(2-bromoethyl)-N-butylquinoxaline-6-carboxamide.
What is the SMILES notation for N-(2-bromoethyl)-N-butylquinoxaline-6-carboxamide?
The canonical SMILES for N-(2-bromoethyl)-N-butylquinoxaline-6-carboxamide is CCCCN(CCBr)C(=O)c1ccc2nccnc2c1.
What is the InChIKey of N-(2-bromoethyl)-N-butylquinoxaline-6-carboxamide?
The InChIKey is FPJYRQVMJRHSJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrN3O/c1-2-3-9-19(10-6-16)15(20)12-4-5-13-14(11-12)18-8-7-17-13/h4-5,7-8,11H,2-3,6,9-10H2,1H3.
What are the key properties of N-(2-bromoethyl)-N-butylquinoxaline-6-carboxamide?
N-(2-bromoethyl)-N-butylquinoxaline-6-carboxamide has a molecular weight of 336.23 g/mol, XLogP of 3.27, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromoethyl)-N-butylquinoxaline-6-carboxamide is sourced from PubChem (CID 80659192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).