6-bromo-4-(piperidin-4-ylmethyl)-1,3-dihydroquinoxalin-2-one

C14H18BrN3O — CID 117030329

IUPAC6-bromo-4-(piperidin-4-ylmethyl)-1,3-dihydroquinoxalin-2-one
SMILESO=C1CN(CC2CCNCC2)c2cc(Br)ccc2N1
InChIInChI=1S/C14H18BrN3O/c15-11-1-2-12-13(7-11)18(9-14(19)17-12)8-10-3-5-16-6-4-10/h1-2,7,10,16H,3-6,8-9H2,(H,17,19)
InChIKeyGYOSTUMWYKENLI-UHFFFAOYSA-N
MW324.22 g/mol
LogP2.21
Rot. Bonds2

About 6-bromo-4-(piperidin-4-ylmethyl)-1,3-dihydroquinoxalin-2-one

6-bromo-4-(piperidin-4-ylmethyl)-1,3-dihydroquinoxalin-2-one (PubChem CID 117030329) has the molecular formula C14H18BrN3O and a molecular weight of 324.22 g/mol. Its IUPAC name is 6-bromo-4-(piperidin-4-ylmethyl)-1,3-dihydroquinoxalin-2-one.

Molecular Properties

Compound Name6-bromo-4-(piperidin-4-ylmethyl)-1,3-dihydroquinoxalin-2-one
PubChem CID117030329
Molecular FormulaC14H18BrN3O
Molecular Weight324.22 g/mol
Exact Mass323.06
IUPAC Name6-bromo-4-(piperidin-4-ylmethyl)-1,3-dihydroquinoxalin-2-one
SMILESO=C1CN(CC2CCNCC2)c2cc(Br)ccc2N1
InChIInChI=1S/C14H18BrN3O/c15-11-1-2-12-13(7-11)18(9-14(19)17-12)8-10-3-5-16-6-4-10/h1-2,7,10,16H,3-6,8-9H2,(H,17,19)
InChIKeyGYOSTUMWYKENLI-UHFFFAOYSA-N
XLogP2.21
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.22
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-bromo-4-(oxolan-2-ylmethyl)-1,3-dihydroquinoxalin-2-one
CID 117006335
6-bromo-4-[2-(dimethylamino)ethyl]-1,3-dihydroquinoxalin-2-one
CID 117006336
methyl 2-(7-bromo-3-oxo-2,4-dihydroquinoxalin-1-yl)acetate
CID 117030355
7-bromo-4-(piperidin-4-ylmethyl)-2,3-dihydro-1H-quinoxaline
CID 117031103
7-bromo-4-methyl-1-(piperidin-4-ylmethyl)-3H-quinoxalin-2-one
CID 117030394
6-bromo-4-cyclohexyl-1,3-dihydroquinoxalin-2-one
CID 117006333
5-bromo-1-(piperidin-4-ylmethyl)-3H-indol-2-one
CID 84645182
1-methyl-4-(piperidin-4-ylmethyl)-3H-quinoxalin-2-one
CID 117030772
6-bromo-4-(4-chlorophenyl)-1,3-dihydroquinoxalin-2-one
CID 79290624
cyclohexyl 7-bromo-3-oxo-2,4-dihydroquinoxaline-1-carboxylate
CID 142508064
4-(cyclopropylmethyl)-6-methyl-1,3-dihydropyrido[2,3-b]pyrazin-2-one
CID 81137860
7-bromo-4-pentyl-1,3-dihydroquinoxalin-2-one
CID 117006831

Frequently Asked Questions

What is the IUPAC name of 6-bromo-4-(piperidin-4-ylmethyl)-1,3-dihydroquinoxalin-2-one?
The IUPAC name of 6-bromo-4-(piperidin-4-ylmethyl)-1,3-dihydroquinoxalin-2-one (CID 117030329) is 6-bromo-4-(piperidin-4-ylmethyl)-1,3-dihydroquinoxalin-2-one.
What is the SMILES notation for 6-bromo-4-(piperidin-4-ylmethyl)-1,3-dihydroquinoxalin-2-one?
The canonical SMILES for 6-bromo-4-(piperidin-4-ylmethyl)-1,3-dihydroquinoxalin-2-one is O=C1CN(CC2CCNCC2)c2cc(Br)ccc2N1.
What is the InChIKey of 6-bromo-4-(piperidin-4-ylmethyl)-1,3-dihydroquinoxalin-2-one?
The InChIKey is GYOSTUMWYKENLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrN3O/c15-11-1-2-12-13(7-11)18(9-14(19)17-12)8-10-3-5-16-6-4-10/h1-2,7,10,16H,3-6,8-9H2,(H,17,19).
What are the key properties of 6-bromo-4-(piperidin-4-ylmethyl)-1,3-dihydroquinoxalin-2-one?
6-bromo-4-(piperidin-4-ylmethyl)-1,3-dihydroquinoxalin-2-one has a molecular weight of 324.22 g/mol, XLogP of 2.21, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-4-(piperidin-4-ylmethyl)-1,3-dihydroquinoxalin-2-one is sourced from PubChem (CID 117030329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).