N-[5-bromo-2-(3-oxo-4H-quinoxalin-2-yl)phenyl]propanamide

C17H14BrN3O2 — CID 71779729

IUPACN-[5-bromo-2-(3-oxo-4H-quinoxalin-2-yl)phenyl]propanamide
SMILESCCC(=O)Nc1cc(Br)ccc1-c1nc2ccccc2[nH]c1=O
InChIInChI=1S/C17H14BrN3O2/c1-2-15(22)19-14-9-10(18)7-8-11(14)16-17(23)21-13-6-4-3-5-12(13)20-16/h3-9H,2H2,1H3,(H,19,22)(H,21,23)
InChIKeyVCZZPEHGDDYIPV-UHFFFAOYSA-N
MW372.22 g/mol
LogP3.70
Rot. Bonds3

About N-[5-bromo-2-(3-oxo-4H-quinoxalin-2-yl)phenyl]propanamide

N-[5-bromo-2-(3-oxo-4H-quinoxalin-2-yl)phenyl]propanamide (PubChem CID 71779729) has the molecular formula C17H14BrN3O2 and a molecular weight of 372.22 g/mol. Its IUPAC name is N-[5-bromo-2-(3-oxo-4H-quinoxalin-2-yl)phenyl]propanamide.

Molecular Properties

Compound NameN-[5-bromo-2-(3-oxo-4H-quinoxalin-2-yl)phenyl]propanamide
PubChem CID71779729
Molecular FormulaC17H14BrN3O2
Molecular Weight372.22 g/mol
Exact Mass371.03
IUPAC NameN-[5-bromo-2-(3-oxo-4H-quinoxalin-2-yl)phenyl]propanamide
SMILESCCC(=O)Nc1cc(Br)ccc1-c1nc2ccccc2[nH]c1=O
InChIInChI=1S/C17H14BrN3O2/c1-2-15(22)19-14-9-10(18)7-8-11(14)16-17(23)21-13-6-4-3-5-12(13)20-16/h3-9H,2H2,1H3,(H,19,22)(H,21,23)
InChIKeyVCZZPEHGDDYIPV-UHFFFAOYSA-N
XLogP3.70
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.22
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[5-bromo-2-(3-oxo-4H-quinoxalin-2-yl)phenyl]propanamide?
The IUPAC name of N-[5-bromo-2-(3-oxo-4H-quinoxalin-2-yl)phenyl]propanamide (CID 71779729) is N-[5-bromo-2-(3-oxo-4H-quinoxalin-2-yl)phenyl]propanamide.
What is the SMILES notation for N-[5-bromo-2-(3-oxo-4H-quinoxalin-2-yl)phenyl]propanamide?
The canonical SMILES for N-[5-bromo-2-(3-oxo-4H-quinoxalin-2-yl)phenyl]propanamide is CCC(=O)Nc1cc(Br)ccc1-c1nc2ccccc2[nH]c1=O.
What is the InChIKey of N-[5-bromo-2-(3-oxo-4H-quinoxalin-2-yl)phenyl]propanamide?
The InChIKey is VCZZPEHGDDYIPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14BrN3O2/c1-2-15(22)19-14-9-10(18)7-8-11(14)16-17(23)21-13-6-4-3-5-12(13)20-16/h3-9H,2H2,1H3,(H,19,22)(H,21,23).
What are the key properties of N-[5-bromo-2-(3-oxo-4H-quinoxalin-2-yl)phenyl]propanamide?
N-[5-bromo-2-(3-oxo-4H-quinoxalin-2-yl)phenyl]propanamide has a molecular weight of 372.22 g/mol, XLogP of 3.70, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-bromo-2-(3-oxo-4H-quinoxalin-2-yl)phenyl]propanamide is sourced from PubChem (CID 71779729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).