N-(1-bromopropan-2-yl)-N-methylquinoxaline-5-carboxamide

C13H14BrN3O — CID 104615787

IUPACN-(1-bromopropan-2-yl)-N-methylquinoxaline-5-carboxamide
SMILESCC(CBr)N(C)C(=O)c1cccc2nccnc12
InChIInChI=1S/C13H14BrN3O/c1-9(8-14)17(2)13(18)10-4-3-5-11-12(10)16-7-6-15-11/h3-7,9H,8H2,1-2H3
InChIKeyJEEVRKZCEZPFMW-UHFFFAOYSA-N
MW308.18 g/mol
LogP2.49
Rot. Bonds3

About N-(1-bromopropan-2-yl)-N-methylquinoxaline-5-carboxamide

N-(1-bromopropan-2-yl)-N-methylquinoxaline-5-carboxamide (PubChem CID 104615787) has the molecular formula C13H14BrN3O and a molecular weight of 308.18 g/mol. Its IUPAC name is N-(1-bromopropan-2-yl)-N-methylquinoxaline-5-carboxamide.

Molecular Properties

Compound NameN-(1-bromopropan-2-yl)-N-methylquinoxaline-5-carboxamide
PubChem CID104615787
Molecular FormulaC13H14BrN3O
Molecular Weight308.18 g/mol
Exact Mass307.03
IUPAC NameN-(1-bromopropan-2-yl)-N-methylquinoxaline-5-carboxamide
SMILESCC(CBr)N(C)C(=O)c1cccc2nccnc12
InChIInChI=1S/C13H14BrN3O/c1-9(8-14)17(2)13(18)10-4-3-5-11-12(10)16-7-6-15-11/h3-7,9H,8H2,1-2H3
InChIKeyJEEVRKZCEZPFMW-UHFFFAOYSA-N
XLogP2.49
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.18
LogP ≤ 52.49
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-(1-bromopropan-2-yl)-N-methylquinoline-4-carboxamide
CID 104555996
2-[methyl(quinoxaline-5-carbonyl)amino]acetic acid
CID 104614064
N-(1-bromopropan-2-yl)-N,2,3-trimethylbenzamide
CID 104556144
N-(1-bromopropan-2-yl)-2,3-dimethoxy-N-methylbenzamide
CID 113426448
2-bromo-N-(1-bromopropan-2-yl)-N,3-dimethylbenzamide
CID 107984024
N-butan-2-ylquinoxaline-5-carboxamide
CID 110701330
N-(2-cyanoethyl)-N-propan-2-ylquinoxaline-5-carboxamide
CID 104578300
N-(5-aminopentyl)-N-methylquinoxaline-5-carboxamide
CID 107206630
N-propyl-N-prop-2-ynylquinoxaline-5-carboxamide
CID 104577691
N-(2-hydroxy-3-methylbutyl)quinoxaline-5-carboxamide
CID 104580610
N-[2-(propan-2-ylamino)ethyl]quinoxaline-5-carboxamide
CID 104615463
ethyl 2-[ethyl(quinoxaline-5-carbonyl)amino]acetate
CID 104577671

Frequently Asked Questions

What is the IUPAC name of N-(1-bromopropan-2-yl)-N-methylquinoxaline-5-carboxamide?
The IUPAC name of N-(1-bromopropan-2-yl)-N-methylquinoxaline-5-carboxamide (CID 104615787) is N-(1-bromopropan-2-yl)-N-methylquinoxaline-5-carboxamide.
What is the SMILES notation for N-(1-bromopropan-2-yl)-N-methylquinoxaline-5-carboxamide?
The canonical SMILES for N-(1-bromopropan-2-yl)-N-methylquinoxaline-5-carboxamide is CC(CBr)N(C)C(=O)c1cccc2nccnc12.
What is the InChIKey of N-(1-bromopropan-2-yl)-N-methylquinoxaline-5-carboxamide?
The InChIKey is JEEVRKZCEZPFMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrN3O/c1-9(8-14)17(2)13(18)10-4-3-5-11-12(10)16-7-6-15-11/h3-7,9H,8H2,1-2H3.
What are the key properties of N-(1-bromopropan-2-yl)-N-methylquinoxaline-5-carboxamide?
N-(1-bromopropan-2-yl)-N-methylquinoxaline-5-carboxamide has a molecular weight of 308.18 g/mol, XLogP of 2.49, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-bromopropan-2-yl)-N-methylquinoxaline-5-carboxamide is sourced from PubChem (CID 104615787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).