N-(3-bromopropyl)quinoxaline-6-carboxamide

C12H12BrN3O — CID 62874705

IUPACN-(3-bromopropyl)quinoxaline-6-carboxamide
SMILESO=C(NCCCBr)c1ccc2nccnc2c1
InChIInChI=1S/C12H12BrN3O/c13-4-1-5-16-12(17)9-2-3-10-11(8-9)15-7-6-14-10/h2-3,6-8H,1,4-5H2,(H,16,17)
InChIKeyGFRPAROXMWTAPX-UHFFFAOYSA-N
MW294.15 g/mol
LogP2.14
Rot. Bonds4

About N-(3-bromopropyl)quinoxaline-6-carboxamide

N-(3-bromopropyl)quinoxaline-6-carboxamide (PubChem CID 62874705) has the molecular formula C12H12BrN3O and a molecular weight of 294.15 g/mol. Its IUPAC name is N-(3-bromopropyl)quinoxaline-6-carboxamide.

Molecular Properties

Compound NameN-(3-bromopropyl)quinoxaline-6-carboxamide
PubChem CID62874705
Molecular FormulaC12H12BrN3O
Molecular Weight294.15 g/mol
Exact Mass293.02
IUPAC NameN-(3-bromopropyl)quinoxaline-6-carboxamide
SMILESO=C(NCCCBr)c1ccc2nccnc2c1
InChIInChI=1S/C12H12BrN3O/c13-4-1-5-16-12(17)9-2-3-10-11(8-9)15-7-6-14-10/h2-3,6-8H,1,4-5H2,(H,16,17)
InChIKeyGFRPAROXMWTAPX-UHFFFAOYSA-N
XLogP2.14
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.15
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(3-bromopropyl)quinoxaline-6-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-aminopentyl)quinoxaline-6-carboxamide
CID 106122838
N-(5-amino-5-hydroxyiminopentyl)quinoxaline-6-carboxamide
CID 77036760
N-(2-phenylethyl)quinoxaline-6-carboxamide
CID 858929
N-[3-(furan-2-yl)propyl]quinoxaline-6-carboxamide
CID 74240216
N-prop-2-enylquinoxaline-6-carboxamide
CID 2256092
N-(2-amino-3-hydroxybutyl)quinoxaline-6-carboxamide
CID 64541023
N-[2-[4-(dimethylamino)phenyl]ethyl]quinoxaline-6-carboxamide
CID 146083370
N-[2-[4-[(dimethylamino)methyl]phenyl]ethyl]quinoxaline-6-carboxamide
CID 166286953
N-[2-(2-methoxyphenyl)ethyl]quinoxaline-6-carboxamide
CID 110690530
N-[3-(bromomethyl)pentan-3-yl]quinoxaline-6-carboxamide
CID 114315319
N-[(2-aminophenyl)methyl]quinoxaline-6-carboxamide
CID 62849872
N-(3-bromopropyl)-4-fluoro-3-methoxybenzamide
CID 81284858

Frequently Asked Questions

What is the IUPAC name of N-(3-bromopropyl)quinoxaline-6-carboxamide?
The IUPAC name of N-(3-bromopropyl)quinoxaline-6-carboxamide (CID 62874705) is N-(3-bromopropyl)quinoxaline-6-carboxamide.
What is the SMILES notation for N-(3-bromopropyl)quinoxaline-6-carboxamide?
The canonical SMILES for N-(3-bromopropyl)quinoxaline-6-carboxamide is O=C(NCCCBr)c1ccc2nccnc2c1.
What is the InChIKey of N-(3-bromopropyl)quinoxaline-6-carboxamide?
The InChIKey is GFRPAROXMWTAPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrN3O/c13-4-1-5-16-12(17)9-2-3-10-11(8-9)15-7-6-14-10/h2-3,6-8H,1,4-5H2,(H,16,17).
What are the key properties of N-(3-bromopropyl)quinoxaline-6-carboxamide?
N-(3-bromopropyl)quinoxaline-6-carboxamide has a molecular weight of 294.15 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromopropyl)quinoxaline-6-carboxamide is sourced from PubChem (CID 62874705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).