6-bromo-1-methyl-3-phenylquinoxalin-2-one

C15H11BrN2O — CID 132610074

IUPAC6-bromo-1-methyl-3-phenylquinoxalin-2-one
SMILESCn1c(=O)c(-c2ccccc2)nc2cc(Br)ccc21
InChIInChI=1S/C15H11BrN2O/c1-18-13-8-7-11(16)9-12(13)17-14(15(18)19)10-5-3-2-4-6-10/h2-9H,1H3
InChIKeyWRUUDLTVQBYFFU-UHFFFAOYSA-N
MW315.17 g/mol
LogP3.36
Rot. Bonds1

About 6-bromo-1-methyl-3-phenylquinoxalin-2-one

6-bromo-1-methyl-3-phenylquinoxalin-2-one (PubChem CID 132610074) has the molecular formula C15H11BrN2O and a molecular weight of 315.17 g/mol. Its IUPAC name is 6-bromo-1-methyl-3-phenylquinoxalin-2-one.

Molecular Properties

Compound Name6-bromo-1-methyl-3-phenylquinoxalin-2-one
PubChem CID132610074
Molecular FormulaC15H11BrN2O
Molecular Weight315.17 g/mol
Exact Mass314.01
IUPAC Name6-bromo-1-methyl-3-phenylquinoxalin-2-one
SMILESCn1c(=O)c(-c2ccccc2)nc2cc(Br)ccc21
InChIInChI=1S/C15H11BrN2O/c1-18-13-8-7-11(16)9-12(13)17-14(15(18)19)10-5-3-2-4-6-10/h2-9H,1H3
InChIKeyWRUUDLTVQBYFFU-UHFFFAOYSA-N
XLogP3.36
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.17
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-bromophenyl)-1-methylquinoxalin-2-one
CID 132610080
6,7-difluoro-1-methyl-3-phenylquinoxalin-2-one
CID 162418135
7-chloro-1-methyl-3-phenylquinoxalin-2-one
CID 163364599
3-(aminomethyl)-6-bromo-1-methylquinoxalin-2-one
CID 117274808
3-[4-bromo-2-(methylamino)phenyl]-1-methylquinoxalin-2-one
CID 23821378
5-bromo-1-methyl-2-methylsulfanylbenzimidazole
CID 83679153
5-bromo-2-ethyl-1-methylbenzimidazole
CID 84701099
6-bromo-1-methyl-3-(oxolan-2-yl)quinoxalin-2-one
CID 156695639
6-bromo-2-methyl-4-phenylquinazoline
CID 4713931
3-bromoquinazolino[3,2-f]phenanthridin-14-one
CID 164913573
3-bromo-9-[4-(2-phenylquinazolin-4-yl)phenyl]carbazole
CID 118103152
5-bromo-1-methyl-2-(1-methylbenzimidazol-5-yl)benzimidazole
CID 177401759

Frequently Asked Questions

What is the IUPAC name of 6-bromo-1-methyl-3-phenylquinoxalin-2-one?
The IUPAC name of 6-bromo-1-methyl-3-phenylquinoxalin-2-one (CID 132610074) is 6-bromo-1-methyl-3-phenylquinoxalin-2-one.
What is the SMILES notation for 6-bromo-1-methyl-3-phenylquinoxalin-2-one?
The canonical SMILES for 6-bromo-1-methyl-3-phenylquinoxalin-2-one is Cn1c(=O)c(-c2ccccc2)nc2cc(Br)ccc21.
What is the InChIKey of 6-bromo-1-methyl-3-phenylquinoxalin-2-one?
The InChIKey is WRUUDLTVQBYFFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrN2O/c1-18-13-8-7-11(16)9-12(13)17-14(15(18)19)10-5-3-2-4-6-10/h2-9H,1H3.
What are the key properties of 6-bromo-1-methyl-3-phenylquinoxalin-2-one?
6-bromo-1-methyl-3-phenylquinoxalin-2-one has a molecular weight of 315.17 g/mol, XLogP of 3.36, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-1-methyl-3-phenylquinoxalin-2-one is sourced from PubChem (CID 132610074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).