3-[[(6,7-difluoroquinoxalin-2-yl)amino]methyl]morpholine-4-carboxylic acid

C14H14F2N4O3 — CID 67090626

IUPAC3-[[(6,7-difluoroquinoxalin-2-yl)amino]methyl]morpholine-4-carboxylic acid
SMILESO=C(O)N1CCOCC1CNc1cnc2cc(F)c(F)cc2n1
InChIInChI=1S/C14H14F2N4O3/c15-9-3-11-12(4-10(9)16)19-13(6-17-11)18-5-8-7-23-2-1-20(8)14(21)22/h3-4,6,8H,1-2,5,7H2,(H,18,19)(H,21,22)
InChIKeyXNECPIJWBYWPPH-UHFFFAOYSA-N
MW324.29 g/mol
LogP1.70
Rot. Bonds3

About 3-[[(6,7-difluoroquinoxalin-2-yl)amino]methyl]morpholine-4-carboxylic acid

3-[[(6,7-difluoroquinoxalin-2-yl)amino]methyl]morpholine-4-carboxylic acid (PubChem CID 67090626) has the molecular formula C14H14F2N4O3 and a molecular weight of 324.29 g/mol. Its IUPAC name is 3-[[(6,7-difluoroquinoxalin-2-yl)amino]methyl]morpholine-4-carboxylic acid.

Molecular Properties

Compound Name3-[[(6,7-difluoroquinoxalin-2-yl)amino]methyl]morpholine-4-carboxylic acid
PubChem CID67090626
Molecular FormulaC14H14F2N4O3
Molecular Weight324.29 g/mol
Exact Mass324.10
IUPAC Name3-[[(6,7-difluoroquinoxalin-2-yl)amino]methyl]morpholine-4-carboxylic acid
SMILESO=C(O)N1CCOCC1CNc1cnc2cc(F)c(F)cc2n1
InChIInChI=1S/C14H14F2N4O3/c15-9-3-11-12(4-10(9)16)19-13(6-17-11)18-5-8-7-23-2-1-20(8)14(21)22/h3-4,6,8H,1-2,5,7H2,(H,18,19)(H,21,22)
InChIKeyXNECPIJWBYWPPH-UHFFFAOYSA-N
XLogP1.70
TPSA87.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.29
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[(6,7-difluoroquinoxalin-2-yl)amino]methyl]piperidine-1-carboxylic acid
CID 67090810
2-[[(6,7-difluoroquinoxalin-2-yl)amino]methyl]-4-methylpiperazine-1-carboxylic acid
CID 70037628
[2-[[(6,7-difluoroquinoxalin-2-yl)amino]methyl]piperidin-1-yl]-(5-fluoro-1-benzofuran-2-yl)methanone
CID 67090606
[(2S)-2-[[(6,7-difluoroquinoxalin-2-yl)amino]methyl]piperidin-1-yl]-naphthalen-1-ylmethanone
CID 67090343
2-[(2S)-2-[[(6,7-difluoroquinoxalin-2-yl)amino]methyl]piperidine-1-carbonyl]-7-fluoro-1-benzofuran-3-one
CID 69308206
1-[(2S)-2-[[(6,7-difluoroquinoxalin-2-yl)amino]methyl]piperidin-1-yl]-2-naphthalen-2-ylethanone
CID 138650688
[(2S)-2-[[(6,7-difluoroquinoxalin-2-yl)amino]methyl]piperidin-1-yl]-(1-methylindol-2-yl)methanone
CID 67090360
[(2S)-2-[[(6,7-difluoroquinoxalin-2-yl)amino]methyl]piperidin-1-yl]-(1H-indol-6-yl)methanone
CID 67089912
[2-[[(6,7-difluoroquinoxalin-2-yl)amino]methyl]pyrrolidin-1-yl]-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]methanone
CID 67090216
3H-benzimidazol-5-yl-[2-[[(6,7-difluoroquinoxalin-2-yl)amino]methyl]piperidin-1-yl]methanone
CID 10295783
3-(acetamidomethyl)morpholine-4-carboxylic acid
CID 174875901
[2-[[(6,7-difluoroquinoxalin-2-yl)amino]methyl]piperidin-1-yl]-[5-(4-fluorophenyl)-1-methyltriazol-4-yl]methanone
CID 67090365

Frequently Asked Questions

What is the IUPAC name of 3-[[(6,7-difluoroquinoxalin-2-yl)amino]methyl]morpholine-4-carboxylic acid?
The IUPAC name of 3-[[(6,7-difluoroquinoxalin-2-yl)amino]methyl]morpholine-4-carboxylic acid (CID 67090626) is 3-[[(6,7-difluoroquinoxalin-2-yl)amino]methyl]morpholine-4-carboxylic acid.
What is the SMILES notation for 3-[[(6,7-difluoroquinoxalin-2-yl)amino]methyl]morpholine-4-carboxylic acid?
The canonical SMILES for 3-[[(6,7-difluoroquinoxalin-2-yl)amino]methyl]morpholine-4-carboxylic acid is O=C(O)N1CCOCC1CNc1cnc2cc(F)c(F)cc2n1.
What is the InChIKey of 3-[[(6,7-difluoroquinoxalin-2-yl)amino]methyl]morpholine-4-carboxylic acid?
The InChIKey is XNECPIJWBYWPPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F2N4O3/c15-9-3-11-12(4-10(9)16)19-13(6-17-11)18-5-8-7-23-2-1-20(8)14(21)22/h3-4,6,8H,1-2,5,7H2,(H,18,19)(H,21,22).
What are the key properties of 3-[[(6,7-difluoroquinoxalin-2-yl)amino]methyl]morpholine-4-carboxylic acid?
3-[[(6,7-difluoroquinoxalin-2-yl)amino]methyl]morpholine-4-carboxylic acid has a molecular weight of 324.29 g/mol, XLogP of 1.70, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(6,7-difluoroquinoxalin-2-yl)amino]methyl]morpholine-4-carboxylic acid is sourced from PubChem (CID 67090626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).