methyl 8-bromo-2-[(2R)-2-methylmorpholin-4-yl]quinoxaline-6-carboxylate

C15H16BrN3O3 — CID 129029826

IUPACmethyl 8-bromo-2-[(2R)-2-methylmorpholin-4-yl]quinoxaline-6-carboxylate
SMILESCOC(=O)c1cc(Br)c2nc(N3CCO[C@H](C)C3)cnc2c1
InChIInChI=1S/C15H16BrN3O3/c1-9-8-19(3-4-22-9)13-7-17-12-6-10(15(20)21-2)5-11(16)14(12)18-13/h5-7,9H,3-4,8H2,1-2H3/t9-/m1/s1
InChIKeyLSKVTDDGHGMVLM-SECBINFHSA-N
MW366.22 g/mol
LogP2.40
Rot. Bonds2

About methyl 8-bromo-2-[(2R)-2-methylmorpholin-4-yl]quinoxaline-6-carboxylate

methyl 8-bromo-2-[(2R)-2-methylmorpholin-4-yl]quinoxaline-6-carboxylate (PubChem CID 129029826) has the molecular formula C15H16BrN3O3 and a molecular weight of 366.22 g/mol. Its IUPAC name is methyl 8-bromo-2-[(2R)-2-methylmorpholin-4-yl]quinoxaline-6-carboxylate.

Molecular Properties

Compound Namemethyl 8-bromo-2-[(2R)-2-methylmorpholin-4-yl]quinoxaline-6-carboxylate
PubChem CID129029826
Molecular FormulaC15H16BrN3O3
Molecular Weight366.22 g/mol
Exact Mass365.04
IUPAC Namemethyl 8-bromo-2-[(2R)-2-methylmorpholin-4-yl]quinoxaline-6-carboxylate
SMILESCOC(=O)c1cc(Br)c2nc(N3CCO[C@H](C)C3)cnc2c1
InChIInChI=1S/C15H16BrN3O3/c1-9-8-19(3-4-22-9)13-7-17-12-6-10(15(20)21-2)5-11(16)14(12)18-13/h5-7,9H,3-4,8H2,1-2H3/t9-/m1/s1
InChIKeyLSKVTDDGHGMVLM-SECBINFHSA-N
XLogP2.40
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.22
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

8-bromo-2-(2-methylmorpholin-4-yl)quinoxaline-6-carboxylic acid
CID 129030010
methyl 4-methyl-6-[(2R)-2-methylmorpholin-4-yl]pyridine-2-carboxylate
CID 172634298
methyl 8-bromo-2-(3,6-dihydro-2H-pyran-4-yl)quinoxaline-6-carboxylate;methyl 8-bromo-3-(3,6-dihydro-2H-pyran-4-yl)quinoxaline-6-carboxylate
CID 158244372
methyl 8-[1-(3,4-difluorophenyl)pyrrolidin-2-yl]-2-morpholin-4-ylquinoxaline-6-carboxylate
CID 129030318
methyl 8-[1-(3-fluoro-4-methylanilino)ethyl]-2-morpholin-4-ylquinoxaline-6-carboxylate
CID 129029975
methyl 8-[1-[(5-fluoro-3-pyridinyl)amino]ethyl]-2-morpholin-4-ylquinoxaline-6-carboxylate
CID 142439976
methyl 2-chloro-6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]pyridine-4-carboxylate
CID 126600693
methyl 6-[(2S)-2-(trifluoromethyl)morpholin-4-yl]pyridine-3-carboxylate
CID 95543397
methyl 6-[(2R)-2-(trifluoromethyl)morpholin-4-yl]pyridine-3-carboxylate
CID 95543398
methyl 8-[1-(3-fluoro-N-methylanilino)ethyl]-2-morpholin-4-ylquinoxaline-6-carboxylate
CID 129029917
methyl 4-bromo-2-methyl-1,3-benzoxazole-6-carboxylate
CID 138495450
methyl 2-(2-methylmorpholine-4-carbonyl)-2,3-dihydro-1H-indole-5-carboxylate
CID 175101241

Frequently Asked Questions

What is the IUPAC name of methyl 8-bromo-2-[(2R)-2-methylmorpholin-4-yl]quinoxaline-6-carboxylate?
The IUPAC name of methyl 8-bromo-2-[(2R)-2-methylmorpholin-4-yl]quinoxaline-6-carboxylate (CID 129029826) is methyl 8-bromo-2-[(2R)-2-methylmorpholin-4-yl]quinoxaline-6-carboxylate.
What is the SMILES notation for methyl 8-bromo-2-[(2R)-2-methylmorpholin-4-yl]quinoxaline-6-carboxylate?
The canonical SMILES for methyl 8-bromo-2-[(2R)-2-methylmorpholin-4-yl]quinoxaline-6-carboxylate is COC(=O)c1cc(Br)c2nc(N3CCO[C@H](C)C3)cnc2c1.
What is the InChIKey of methyl 8-bromo-2-[(2R)-2-methylmorpholin-4-yl]quinoxaline-6-carboxylate?
The InChIKey is LSKVTDDGHGMVLM-SECBINFHSA-N. The full InChI is InChI=1S/C15H16BrN3O3/c1-9-8-19(3-4-22-9)13-7-17-12-6-10(15(20)21-2)5-11(16)14(12)18-13/h5-7,9H,3-4,8H2,1-2H3/t9-/m1/s1.
What are the key properties of methyl 8-bromo-2-[(2R)-2-methylmorpholin-4-yl]quinoxaline-6-carboxylate?
methyl 8-bromo-2-[(2R)-2-methylmorpholin-4-yl]quinoxaline-6-carboxylate has a molecular weight of 366.22 g/mol, XLogP of 2.40, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 8-bromo-2-[(2R)-2-methylmorpholin-4-yl]quinoxaline-6-carboxylate is sourced from PubChem (CID 129029826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).