8-bromo-2-(2-methylmorpholin-4-yl)quinoxaline-6-carboxylic acid

C14H14BrN3O3 — CID 129030010

IUPAC8-bromo-2-(2-methylmorpholin-4-yl)quinoxaline-6-carboxylic acid
SMILESCC1CN(c2cnc3cc(C(=O)O)cc(Br)c3n2)CCO1
InChIInChI=1S/C14H14BrN3O3/c1-8-7-18(2-3-21-8)12-6-16-11-5-9(14(19)20)4-10(15)13(11)17-12/h4-6,8H,2-3,7H2,1H3,(H,19,20)
InChIKeyZHHZHRWOFMBDBU-UHFFFAOYSA-N
MW352.19 g/mol
LogP2.32
Rot. Bonds2

About 8-bromo-2-(2-methylmorpholin-4-yl)quinoxaline-6-carboxylic acid

8-bromo-2-(2-methylmorpholin-4-yl)quinoxaline-6-carboxylic acid (PubChem CID 129030010) has the molecular formula C14H14BrN3O3 and a molecular weight of 352.19 g/mol. Its IUPAC name is 8-bromo-2-(2-methylmorpholin-4-yl)quinoxaline-6-carboxylic acid.

Molecular Properties

Compound Name8-bromo-2-(2-methylmorpholin-4-yl)quinoxaline-6-carboxylic acid
PubChem CID129030010
Molecular FormulaC14H14BrN3O3
Molecular Weight352.19 g/mol
Exact Mass351.02
IUPAC Name8-bromo-2-(2-methylmorpholin-4-yl)quinoxaline-6-carboxylic acid
SMILESCC1CN(c2cnc3cc(C(=O)O)cc(Br)c3n2)CCO1
InChIInChI=1S/C14H14BrN3O3/c1-8-7-18(2-3-21-8)12-6-16-11-5-9(14(19)20)4-10(15)13(11)17-12/h4-6,8H,2-3,7H2,1H3,(H,19,20)
InChIKeyZHHZHRWOFMBDBU-UHFFFAOYSA-N
XLogP2.32
TPSA75.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.19
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 8-bromo-2-[(2R)-2-methylmorpholin-4-yl]quinoxaline-6-carboxylate
CID 129029826
4-(2-methylmorpholin-4-yl)quinazoline-7-carboxylic acid
CID 63263123
2,6-difluoro-4-[(2S)-2-methylmorpholin-4-yl]benzoic acid
CID 146567123
3-[[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methylamino]methyl]benzoic acid
CID 122030335
[3-(2-methylmorpholin-4-yl)quinolin-6-yl] trifluoromethanesulfonate
CID 89443552
4-[2-(4-ethyl-6-methyl-3-pyridinyl)-6-morpholin-4-ylpyrimidin-4-yl]-2-methylmorpholine
CID 91204951
(4-bromo-2,6-difluorophenyl)-(2-methylmorpholin-4-yl)methanone
CID 71683349
methyl 4-methyl-6-[(2R)-2-methylmorpholin-4-yl]pyridine-2-carboxylate
CID 172634298
(2S)-4-(3-bromoimidazo[1,2-b]pyridazin-6-yl)-2-methylmorpholine
CID 169237077
(3-bromo-4-iodophenyl)-[(2R)-2-methylmorpholin-4-yl]methanone
CID 172647300
7-bromo-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]-1-benzofuran-2-carboxamide
CID 55714096
4-(6-chloropyrimidin-4-yl)-2-methylmorpholine
CID 61277750

Frequently Asked Questions

What is the IUPAC name of 8-bromo-2-(2-methylmorpholin-4-yl)quinoxaline-6-carboxylic acid?
The IUPAC name of 8-bromo-2-(2-methylmorpholin-4-yl)quinoxaline-6-carboxylic acid (CID 129030010) is 8-bromo-2-(2-methylmorpholin-4-yl)quinoxaline-6-carboxylic acid.
What is the SMILES notation for 8-bromo-2-(2-methylmorpholin-4-yl)quinoxaline-6-carboxylic acid?
The canonical SMILES for 8-bromo-2-(2-methylmorpholin-4-yl)quinoxaline-6-carboxylic acid is CC1CN(c2cnc3cc(C(=O)O)cc(Br)c3n2)CCO1.
What is the InChIKey of 8-bromo-2-(2-methylmorpholin-4-yl)quinoxaline-6-carboxylic acid?
The InChIKey is ZHHZHRWOFMBDBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrN3O3/c1-8-7-18(2-3-21-8)12-6-16-11-5-9(14(19)20)4-10(15)13(11)17-12/h4-6,8H,2-3,7H2,1H3,(H,19,20).
What are the key properties of 8-bromo-2-(2-methylmorpholin-4-yl)quinoxaline-6-carboxylic acid?
8-bromo-2-(2-methylmorpholin-4-yl)quinoxaline-6-carboxylic acid has a molecular weight of 352.19 g/mol, XLogP of 2.32, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-2-(2-methylmorpholin-4-yl)quinoxaline-6-carboxylic acid is sourced from PubChem (CID 129030010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).