N-[(7-bromo-2,3-dioxo-1,4-dihydroquinoxalin-5-yl)methyl]-2-phenylacetamide

C17H14BrN3O3 — CID 18706638

IUPACN-[(7-bromo-2,3-dioxo-1,4-dihydroquinoxalin-5-yl)methyl]-2-phenylacetamide
SMILESO=C(Cc1ccccc1)NCc1cc(Br)cc2[nH]c(=O)c(=O)[nH]c12
InChIInChI=1S/C17H14BrN3O3/c18-12-7-11(15-13(8-12)20-16(23)17(24)21-15)9-19-14(22)6-10-4-2-1-3-5-10/h1-5,7-8H,6,9H2,(H,19,22)(H,20,23)(H,21,24)
InChIKeyWOGATXNLOVWIQG-UHFFFAOYSA-N
MW388.22 g/mol
LogP1.84
Rot. Bonds4

About N-[(7-bromo-2,3-dioxo-1,4-dihydroquinoxalin-5-yl)methyl]-2-phenylacetamide

N-[(7-bromo-2,3-dioxo-1,4-dihydroquinoxalin-5-yl)methyl]-2-phenylacetamide (PubChem CID 18706638) has the molecular formula C17H14BrN3O3 and a molecular weight of 388.22 g/mol. Its IUPAC name is N-[(7-bromo-2,3-dioxo-1,4-dihydroquinoxalin-5-yl)methyl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[(7-bromo-2,3-dioxo-1,4-dihydroquinoxalin-5-yl)methyl]-2-phenylacetamide
PubChem CID18706638
Molecular FormulaC17H14BrN3O3
Molecular Weight388.22 g/mol
Exact Mass387.02
IUPAC NameN-[(7-bromo-2,3-dioxo-1,4-dihydroquinoxalin-5-yl)methyl]-2-phenylacetamide
SMILESO=C(Cc1ccccc1)NCc1cc(Br)cc2[nH]c(=O)c(=O)[nH]c12
InChIInChI=1S/C17H14BrN3O3/c18-12-7-11(15-13(8-12)20-16(23)17(24)21-15)9-19-14(22)6-10-4-2-1-3-5-10/h1-5,7-8H,6,9H2,(H,19,22)(H,20,23)(H,21,24)
InChIKeyWOGATXNLOVWIQG-UHFFFAOYSA-N
XLogP1.84
TPSA94.82 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.22
LogP ≤ 51.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(7-bromo-2,3-dioxo-1,4-dihydroquinoxalin-5-yl)methyl]-2-phenylacetamide?
The IUPAC name of N-[(7-bromo-2,3-dioxo-1,4-dihydroquinoxalin-5-yl)methyl]-2-phenylacetamide (CID 18706638) is N-[(7-bromo-2,3-dioxo-1,4-dihydroquinoxalin-5-yl)methyl]-2-phenylacetamide.
What is the SMILES notation for N-[(7-bromo-2,3-dioxo-1,4-dihydroquinoxalin-5-yl)methyl]-2-phenylacetamide?
The canonical SMILES for N-[(7-bromo-2,3-dioxo-1,4-dihydroquinoxalin-5-yl)methyl]-2-phenylacetamide is O=C(Cc1ccccc1)NCc1cc(Br)cc2[nH]c(=O)c(=O)[nH]c12.
What is the InChIKey of N-[(7-bromo-2,3-dioxo-1,4-dihydroquinoxalin-5-yl)methyl]-2-phenylacetamide?
The InChIKey is WOGATXNLOVWIQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14BrN3O3/c18-12-7-11(15-13(8-12)20-16(23)17(24)21-15)9-19-14(22)6-10-4-2-1-3-5-10/h1-5,7-8H,6,9H2,(H,19,22)(H,20,23)(H,21,24).
What are the key properties of N-[(7-bromo-2,3-dioxo-1,4-dihydroquinoxalin-5-yl)methyl]-2-phenylacetamide?
N-[(7-bromo-2,3-dioxo-1,4-dihydroquinoxalin-5-yl)methyl]-2-phenylacetamide has a molecular weight of 388.22 g/mol, XLogP of 1.84, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(7-bromo-2,3-dioxo-1,4-dihydroquinoxalin-5-yl)methyl]-2-phenylacetamide is sourced from PubChem (CID 18706638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).