6-bromo-1-(2-pyrrolidin-2-ylethyl)-3,4-dihydroquinoxalin-2-one

C14H18BrN3O — CID 117030909

IUPAC6-bromo-1-(2-pyrrolidin-2-ylethyl)-3,4-dihydroquinoxalin-2-one
SMILESO=C1CNc2cc(Br)ccc2N1CCC1CCCN1
InChIInChI=1S/C14H18BrN3O/c15-10-3-4-13-12(8-10)17-9-14(19)18(13)7-5-11-2-1-6-16-11/h3-4,8,11,16-17H,1-2,5-7,9H2
InChIKeyVTBIJAIOZKCLOW-UHFFFAOYSA-N
MW324.22 g/mol
LogP2.35
Rot. Bonds3

About 6-bromo-1-(2-pyrrolidin-2-ylethyl)-3,4-dihydroquinoxalin-2-one

6-bromo-1-(2-pyrrolidin-2-ylethyl)-3,4-dihydroquinoxalin-2-one (PubChem CID 117030909) has the molecular formula C14H18BrN3O and a molecular weight of 324.22 g/mol. Its IUPAC name is 6-bromo-1-(2-pyrrolidin-2-ylethyl)-3,4-dihydroquinoxalin-2-one.

Molecular Properties

Compound Name6-bromo-1-(2-pyrrolidin-2-ylethyl)-3,4-dihydroquinoxalin-2-one
PubChem CID117030909
Molecular FormulaC14H18BrN3O
Molecular Weight324.22 g/mol
Exact Mass323.06
IUPAC Name6-bromo-1-(2-pyrrolidin-2-ylethyl)-3,4-dihydroquinoxalin-2-one
SMILESO=C1CNc2cc(Br)ccc2N1CCC1CCCN1
InChIInChI=1S/C14H18BrN3O/c15-10-3-4-13-12(8-10)17-9-14(19)18(13)7-5-11-2-1-6-16-11/h3-4,8,11,16-17H,1-2,5-7,9H2
InChIKeyVTBIJAIOZKCLOW-UHFFFAOYSA-N
XLogP2.35
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.22
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-bromo-4-(3-pyrrolidin-2-ylpropyl)-1,4-benzoxazin-3-one
CID 62478178
4-(2-piperidin-2-ylethyl)-1,4-benzoxazin-3-one
CID 61348095
1-(piperidin-2-ylmethyl)-3,4-dihydroquinoxalin-2-one
CID 117030559
6-fluoro-1-(2-piperidin-2-ylethyl)-3,4-dihydroquinolin-2-one
CID 61345345
2-[2-(4-bromophenyl)ethyl]pyrrolidine
CID 82088395
1-methyl-4-(2-pyrrolidin-2-ylethyl)-3H-quinoxalin-2-one
CID 117030800
3-[[(2S)-pyrrolidin-2-yl]methyl]-2-sulfanylideneimidazolidin-4-one
CID 53381836
5-bromo-1-[[(2S)-pyrrolidin-2-yl]methyl]pyridin-2-one
CID 102819741
7-bromo-1-(3-methylbutyl)-3,4-dihydroquinoxalin-2-one
CID 117006307
3-[2-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]ethyl]imidazolidine-2,4-dione
CID 106618012
2-[2-(4-bromo-2-fluorophenyl)ethyl]pyrrolidine
CID 104703835
7-bromo-1-prop-2-enyl-3,4-dihydroquinoxalin-2-one
CID 117006288

Frequently Asked Questions

What is the IUPAC name of 6-bromo-1-(2-pyrrolidin-2-ylethyl)-3,4-dihydroquinoxalin-2-one?
The IUPAC name of 6-bromo-1-(2-pyrrolidin-2-ylethyl)-3,4-dihydroquinoxalin-2-one (CID 117030909) is 6-bromo-1-(2-pyrrolidin-2-ylethyl)-3,4-dihydroquinoxalin-2-one.
What is the SMILES notation for 6-bromo-1-(2-pyrrolidin-2-ylethyl)-3,4-dihydroquinoxalin-2-one?
The canonical SMILES for 6-bromo-1-(2-pyrrolidin-2-ylethyl)-3,4-dihydroquinoxalin-2-one is O=C1CNc2cc(Br)ccc2N1CCC1CCCN1.
What is the InChIKey of 6-bromo-1-(2-pyrrolidin-2-ylethyl)-3,4-dihydroquinoxalin-2-one?
The InChIKey is VTBIJAIOZKCLOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrN3O/c15-10-3-4-13-12(8-10)17-9-14(19)18(13)7-5-11-2-1-6-16-11/h3-4,8,11,16-17H,1-2,5-7,9H2.
What are the key properties of 6-bromo-1-(2-pyrrolidin-2-ylethyl)-3,4-dihydroquinoxalin-2-one?
6-bromo-1-(2-pyrrolidin-2-ylethyl)-3,4-dihydroquinoxalin-2-one has a molecular weight of 324.22 g/mol, XLogP of 2.35, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-1-(2-pyrrolidin-2-ylethyl)-3,4-dihydroquinoxalin-2-one is sourced from PubChem (CID 117030909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).