7-bromo-1-(3-methoxyphenyl)-3,4-dihydroquinoxalin-2-one

C15H13BrN2O2 — CID 117006327

IUPAC7-bromo-1-(3-methoxyphenyl)-3,4-dihydroquinoxalin-2-one
SMILESCOc1cccc(N2C(=O)CNc3ccc(Br)cc32)c1
InChIInChI=1S/C15H13BrN2O2/c1-20-12-4-2-3-11(8-12)18-14-7-10(16)5-6-13(14)17-9-15(18)19/h2-8,17H,9H2,1H3
InChIKeyVWCUIVDULFMYDJ-UHFFFAOYSA-N
MW333.19 g/mol
LogP3.55
Rot. Bonds2

About 7-bromo-1-(3-methoxyphenyl)-3,4-dihydroquinoxalin-2-one

7-bromo-1-(3-methoxyphenyl)-3,4-dihydroquinoxalin-2-one (PubChem CID 117006327) has the molecular formula C15H13BrN2O2 and a molecular weight of 333.19 g/mol. Its IUPAC name is 7-bromo-1-(3-methoxyphenyl)-3,4-dihydroquinoxalin-2-one.

Molecular Properties

Compound Name7-bromo-1-(3-methoxyphenyl)-3,4-dihydroquinoxalin-2-one
PubChem CID117006327
Molecular FormulaC15H13BrN2O2
Molecular Weight333.19 g/mol
Exact Mass332.02
IUPAC Name7-bromo-1-(3-methoxyphenyl)-3,4-dihydroquinoxalin-2-one
SMILESCOc1cccc(N2C(=O)CNc3ccc(Br)cc32)c1
InChIInChI=1S/C15H13BrN2O2/c1-20-12-4-2-3-11(8-12)18-14-7-10(16)5-6-13(14)17-9-15(18)19/h2-8,17H,9H2,1H3
InChIKeyVWCUIVDULFMYDJ-UHFFFAOYSA-N
XLogP3.55
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.19
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-bromophenyl)-3-oxo-1,2-dihydroquinoxaline-6-carbonitrile
CID 117007035
1-(4-methoxyphenyl)-3,4-dihydroquinoxalin-2-one
CID 117006508
6-bromo-1-(3-propoxyphenyl)-3H-indol-2-one
CID 165089344
1-(3-aminophenyl)-3,4-dihydroquinoxalin-2-one
CID 117030560
2-(3-methoxyphenyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 4577746
4-(3-fluorophenyl)-3-oxo-1,2-dihydroquinoxaline-6-carbonitrile
CID 117007033
1-(3-methoxyphenyl)-3-methylidenepyrrolidine-2,5-dione
CID 14449114
1-(5-bromo-2-methoxyphenyl)piperazine-2,5-dione
CID 64955055
7-methoxy-1-propyl-3,4-dihydroquinoxalin-2-one
CID 84623560
(1S,2R,6S,7S)-4-(3-methoxyphenyl)spiro[4-azatricyclo[5.2.1.02,6]dec-8-ene-10,1'-cyclopropane]-3,5-dione
CID 98119793
1-(2-methoxyphenyl)-3-(3-methoxyphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 2049348
6-amino-3-(3-methoxyphenyl)-3-azabicyclo[3.1.0]hexane-2,4-dione
CID 115003951

Frequently Asked Questions

What is the IUPAC name of 7-bromo-1-(3-methoxyphenyl)-3,4-dihydroquinoxalin-2-one?
The IUPAC name of 7-bromo-1-(3-methoxyphenyl)-3,4-dihydroquinoxalin-2-one (CID 117006327) is 7-bromo-1-(3-methoxyphenyl)-3,4-dihydroquinoxalin-2-one.
What is the SMILES notation for 7-bromo-1-(3-methoxyphenyl)-3,4-dihydroquinoxalin-2-one?
The canonical SMILES for 7-bromo-1-(3-methoxyphenyl)-3,4-dihydroquinoxalin-2-one is COc1cccc(N2C(=O)CNc3ccc(Br)cc32)c1.
What is the InChIKey of 7-bromo-1-(3-methoxyphenyl)-3,4-dihydroquinoxalin-2-one?
The InChIKey is VWCUIVDULFMYDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrN2O2/c1-20-12-4-2-3-11(8-12)18-14-7-10(16)5-6-13(14)17-9-15(18)19/h2-8,17H,9H2,1H3.
What are the key properties of 7-bromo-1-(3-methoxyphenyl)-3,4-dihydroquinoxalin-2-one?
7-bromo-1-(3-methoxyphenyl)-3,4-dihydroquinoxalin-2-one has a molecular weight of 333.19 g/mol, XLogP of 3.55, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-1-(3-methoxyphenyl)-3,4-dihydroquinoxalin-2-one is sourced from PubChem (CID 117006327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).