N-[[1-(bromomethyl)cyclopentyl]methyl]quinoxaline-5-carboxamide

C16H18BrN3O — CID 104615776

IUPACN-[[1-(bromomethyl)cyclopentyl]methyl]quinoxaline-5-carboxamide
SMILESO=C(NCC1(CBr)CCCC1)c1cccc2nccnc12
InChIInChI=1S/C16H18BrN3O/c17-10-16(6-1-2-7-16)11-20-15(21)12-4-3-5-13-14(12)19-9-8-18-13/h3-5,8-9H,1-2,6-7,10-11H2,(H,20,21)
InChIKeyUIEPIDYWAHMZAG-UHFFFAOYSA-N
MW348.24 g/mol
LogP3.31
Rot. Bonds4

About N-[[1-(bromomethyl)cyclopentyl]methyl]quinoxaline-5-carboxamide

N-[[1-(bromomethyl)cyclopentyl]methyl]quinoxaline-5-carboxamide (PubChem CID 104615776) has the molecular formula C16H18BrN3O and a molecular weight of 348.24 g/mol. Its IUPAC name is N-[[1-(bromomethyl)cyclopentyl]methyl]quinoxaline-5-carboxamide.

Molecular Properties

Compound NameN-[[1-(bromomethyl)cyclopentyl]methyl]quinoxaline-5-carboxamide
PubChem CID104615776
Molecular FormulaC16H18BrN3O
Molecular Weight348.24 g/mol
Exact Mass347.06
IUPAC NameN-[[1-(bromomethyl)cyclopentyl]methyl]quinoxaline-5-carboxamide
SMILESO=C(NCC1(CBr)CCCC1)c1cccc2nccnc12
InChIInChI=1S/C16H18BrN3O/c17-10-16(6-1-2-7-16)11-20-15(21)12-4-3-5-13-14(12)19-9-8-18-13/h3-5,8-9H,1-2,6-7,10-11H2,(H,20,21)
InChIKeyUIEPIDYWAHMZAG-UHFFFAOYSA-N
XLogP3.31
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.24
LogP ≤ 53.31
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-(chloromethyl)cyclopropyl]methyl]quinoxaline-5-carboxamide
CID 104615778
N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]quinoxaline-5-carboxamide
CID 114751509
N-[[1-(bromomethyl)cyclopentyl]methyl]-2,3-dihydroxybenzamide
CID 114345326
N-[[1-(bromomethyl)cyclopentyl]methyl]-3-hydroxy-2-methylbenzamide
CID 82830831
2-bromo-N-[[1-(bromomethyl)cyclopentyl]methyl]-3-fluorobenzamide
CID 115364185
N-[[1-(bromomethyl)cyclopropyl]methyl]-2,3-dihydroxybenzamide
CID 114345330
N-[1-(chloromethyl)cyclohexyl]quinoxaline-5-carboxamide
CID 104615746
N-[(2-bromocyclohexyl)methyl]quinoxaline-5-carboxamide
CID 104615763
N-(cyanomethyl)quinoxaline-5-carboxamide
CID 104580010
N-[2-(propan-2-ylamino)ethyl]quinoxaline-5-carboxamide
CID 104615463
N-[(4-fluorophenyl)methyl]quinoxaline-5-carboxamide
CID 110701354
N-[4-(bromomethyl)phenyl]quinoxaline-5-carboxamide
CID 104615759

Frequently Asked Questions

What is the IUPAC name of N-[[1-(bromomethyl)cyclopentyl]methyl]quinoxaline-5-carboxamide?
The IUPAC name of N-[[1-(bromomethyl)cyclopentyl]methyl]quinoxaline-5-carboxamide (CID 104615776) is N-[[1-(bromomethyl)cyclopentyl]methyl]quinoxaline-5-carboxamide.
What is the SMILES notation for N-[[1-(bromomethyl)cyclopentyl]methyl]quinoxaline-5-carboxamide?
The canonical SMILES for N-[[1-(bromomethyl)cyclopentyl]methyl]quinoxaline-5-carboxamide is O=C(NCC1(CBr)CCCC1)c1cccc2nccnc12.
What is the InChIKey of N-[[1-(bromomethyl)cyclopentyl]methyl]quinoxaline-5-carboxamide?
The InChIKey is UIEPIDYWAHMZAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrN3O/c17-10-16(6-1-2-7-16)11-20-15(21)12-4-3-5-13-14(12)19-9-8-18-13/h3-5,8-9H,1-2,6-7,10-11H2,(H,20,21).
What are the key properties of N-[[1-(bromomethyl)cyclopentyl]methyl]quinoxaline-5-carboxamide?
N-[[1-(bromomethyl)cyclopentyl]methyl]quinoxaline-5-carboxamide has a molecular weight of 348.24 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(bromomethyl)cyclopentyl]methyl]quinoxaline-5-carboxamide is sourced from PubChem (CID 104615776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).