N-[1-(bromomethyl)cyclohexyl]quinoxaline-6-carboxamide

C16H18BrN3O — CID 114314181

IUPACN-[1-(bromomethyl)cyclohexyl]quinoxaline-6-carboxamide
SMILESO=C(NC1(CBr)CCCCC1)c1ccc2nccnc2c1
InChIInChI=1S/C16H18BrN3O/c17-11-16(6-2-1-3-7-16)20-15(21)12-4-5-13-14(10-12)19-9-8-18-13/h4-5,8-10H,1-3,6-7,11H2,(H,20,21)
InChIKeyJYPXUYWDXDHSGX-UHFFFAOYSA-N
MW348.24 g/mol
LogP3.46
Rot. Bonds3

About N-[1-(bromomethyl)cyclohexyl]quinoxaline-6-carboxamide

N-[1-(bromomethyl)cyclohexyl]quinoxaline-6-carboxamide (PubChem CID 114314181) has the molecular formula C16H18BrN3O and a molecular weight of 348.24 g/mol. Its IUPAC name is N-[1-(bromomethyl)cyclohexyl]quinoxaline-6-carboxamide.

Molecular Properties

Compound NameN-[1-(bromomethyl)cyclohexyl]quinoxaline-6-carboxamide
PubChem CID114314181
Molecular FormulaC16H18BrN3O
Molecular Weight348.24 g/mol
Exact Mass347.06
IUPAC NameN-[1-(bromomethyl)cyclohexyl]quinoxaline-6-carboxamide
SMILESO=C(NC1(CBr)CCCCC1)c1ccc2nccnc2c1
InChIInChI=1S/C16H18BrN3O/c17-11-16(6-2-1-3-7-16)20-15(21)12-4-5-13-14(10-12)19-9-8-18-13/h4-5,8-10H,1-3,6-7,11H2,(H,20,21)
InChIKeyJYPXUYWDXDHSGX-UHFFFAOYSA-N
XLogP3.46
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.24
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(bromomethyl)cyclopentyl]pyridine-4-carboxamide
CID 114311461
4-bromo-N-[1-(bromomethyl)cyclohexyl]-3-chlorobenzamide
CID 113275490
N-[1-(bromomethyl)cyclopentyl]-4-hydroxybenzamide
CID 114311351
N-[1-(bromomethyl)cyclohexyl]-4-fluoro-3-methoxybenzamide
CID 114314064
N-[1-(bromomethyl)cyclopentyl]pyridazine-4-carboxamide
CID 104672706
N-[1-(bromomethyl)cyclopentyl]-4-chlorobenzamide
CID 114311465
N-[1-(bromomethyl)cyclopentyl]-4-chloro-3-fluorobenzamide
CID 107993984
N-[[1-(hydroxymethyl)cyclopropyl]methyl]quinoxaline-6-carboxamide
CID 80716840
N-[1-(bromomethyl)cyclohexyl]-3-hydroxy-4-methoxybenzamide
CID 114314007
3,5-dibromo-N-[1-(bromomethyl)cyclopentyl]benzamide
CID 107975111
N-[1-(bromomethyl)cyclohexyl]-4-nitrobenzamide
CID 114314124
N-[1-(bromomethyl)cyclohexyl]-1H-pyrazole-5-carboxamide
CID 114314078

Frequently Asked Questions

What is the IUPAC name of N-[1-(bromomethyl)cyclohexyl]quinoxaline-6-carboxamide?
The IUPAC name of N-[1-(bromomethyl)cyclohexyl]quinoxaline-6-carboxamide (CID 114314181) is N-[1-(bromomethyl)cyclohexyl]quinoxaline-6-carboxamide.
What is the SMILES notation for N-[1-(bromomethyl)cyclohexyl]quinoxaline-6-carboxamide?
The canonical SMILES for N-[1-(bromomethyl)cyclohexyl]quinoxaline-6-carboxamide is O=C(NC1(CBr)CCCCC1)c1ccc2nccnc2c1.
What is the InChIKey of N-[1-(bromomethyl)cyclohexyl]quinoxaline-6-carboxamide?
The InChIKey is JYPXUYWDXDHSGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrN3O/c17-11-16(6-2-1-3-7-16)20-15(21)12-4-5-13-14(10-12)19-9-8-18-13/h4-5,8-10H,1-3,6-7,11H2,(H,20,21).
What are the key properties of N-[1-(bromomethyl)cyclohexyl]quinoxaline-6-carboxamide?
N-[1-(bromomethyl)cyclohexyl]quinoxaline-6-carboxamide has a molecular weight of 348.24 g/mol, XLogP of 3.46, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(bromomethyl)cyclohexyl]quinoxaline-6-carboxamide is sourced from PubChem (CID 114314181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).