methyl 3-fluoro-2,3-dihydroquinoxaline-6-carboxylate

C10H9FN2O2 — CID 163796855

IUPACmethyl 3-fluoro-2,3-dihydroquinoxaline-6-carboxylate
SMILESCOC(=O)c1ccc2c(c1)=NC(F)CN=2
InChIInChI=1S/C10H9FN2O2/c1-15-10(14)6-2-3-7-8(4-6)13-9(11)5-12-7/h2-4,9H,5H2,1H3
InChIKeyNBOAHKBLJSCTHX-UHFFFAOYSA-N
MW208.19 g/mol
LogP0.02
Rot. Bonds1

About methyl 3-fluoro-2,3-dihydroquinoxaline-6-carboxylate

methyl 3-fluoro-2,3-dihydroquinoxaline-6-carboxylate (PubChem CID 163796855) has the molecular formula C10H9FN2O2 and a molecular weight of 208.19 g/mol. Its IUPAC name is methyl 3-fluoro-2,3-dihydroquinoxaline-6-carboxylate.

Molecular Properties

Compound Namemethyl 3-fluoro-2,3-dihydroquinoxaline-6-carboxylate
PubChem CID163796855
Molecular FormulaC10H9FN2O2
Molecular Weight208.19 g/mol
Exact Mass208.06
IUPAC Namemethyl 3-fluoro-2,3-dihydroquinoxaline-6-carboxylate
SMILESCOC(=O)c1ccc2c(c1)=NC(F)CN=2
InChIInChI=1S/C10H9FN2O2/c1-15-10(14)6-2-3-7-8(4-6)13-9(11)5-12-7/h2-4,9H,5H2,1H3
InChIKeyNBOAHKBLJSCTHX-UHFFFAOYSA-N
XLogP0.02
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.19
LogP ≤ 50.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

methyl 6-fluoro-2H-indole-5-carboxylate
CID 150743225
ethyl (2R)-2-methyl-3-oxo-2H-quinoxaline-6-carboxylate
CID 119057460
Methyl 2,3-dioxoquinoxaline-6-carboxylate
CID 45034974
Methyl 4-(3-methoxy-3-oxopropyl)iminocyclohexa-1,5-diene-1-carboxylate
CID 67807430
Prop-2-enyl 4-methyliminocyclohexa-1,5-diene-1-carboxylate
CID 70456587
Methyl 2,3-dihydroquinoxaline-6-carboxylate
CID 123899149
ethyl 2H-3,1-benzoxazine-6-carboxylate
CID 140976929
Methyl 8-methyl-2,3-dihydroquinoline-7-carboxylate
CID 144298413
Methyl 2,3-dihydroquinoline-7-carboxylate
CID 144298433
ethyl (3Z)-3-but-3-en-2-ylidene-4-ethyliminocyclohexa-1,5-diene-1-carboxylate
CID 145509720
Methyl 1-benzazocine-5-carboxylate
CID 154340500
methyl 2H-benzimidazole-5-carboxylate
CID 174308663

Frequently Asked Questions

What is the IUPAC name of methyl 3-fluoro-2,3-dihydroquinoxaline-6-carboxylate?
The IUPAC name of methyl 3-fluoro-2,3-dihydroquinoxaline-6-carboxylate (CID 163796855) is methyl 3-fluoro-2,3-dihydroquinoxaline-6-carboxylate.
What is the SMILES notation for methyl 3-fluoro-2,3-dihydroquinoxaline-6-carboxylate?
The canonical SMILES for methyl 3-fluoro-2,3-dihydroquinoxaline-6-carboxylate is COC(=O)c1ccc2c(c1)=NC(F)CN=2.
What is the InChIKey of methyl 3-fluoro-2,3-dihydroquinoxaline-6-carboxylate?
The InChIKey is NBOAHKBLJSCTHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FN2O2/c1-15-10(14)6-2-3-7-8(4-6)13-9(11)5-12-7/h2-4,9H,5H2,1H3.
What are the key properties of methyl 3-fluoro-2,3-dihydroquinoxaline-6-carboxylate?
methyl 3-fluoro-2,3-dihydroquinoxaline-6-carboxylate has a molecular weight of 208.19 g/mol, XLogP of 0.02, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-fluoro-2,3-dihydroquinoxaline-6-carboxylate is sourced from PubChem (CID 163796855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).