(5-fluoro-2-methoxyphenyl)methyl quinoxaline-6-carboxylate

C17H13FN2O3 — CID 7676729

IUPAC(5-fluoro-2-methoxyphenyl)methyl quinoxaline-6-carboxylate
SMILESCOc1ccc(F)cc1COC(=O)c1ccc2nccnc2c1
InChIInChI=1S/C17H13FN2O3/c1-22-16-5-3-13(18)8-12(16)10-23-17(21)11-2-4-14-15(9-11)20-7-6-19-14/h2-9H,10H2,1H3
InChIKeyOMWXQDIVSHJEBB-UHFFFAOYSA-N
MW312.30 g/mol
LogP3.13
Rot. Bonds4

About (5-fluoro-2-methoxyphenyl)methyl quinoxaline-6-carboxylate

(5-fluoro-2-methoxyphenyl)methyl quinoxaline-6-carboxylate (PubChem CID 7676729) has the molecular formula C17H13FN2O3 and a molecular weight of 312.30 g/mol. Its IUPAC name is (5-fluoro-2-methoxyphenyl)methyl quinoxaline-6-carboxylate.

Molecular Properties

Compound Name(5-fluoro-2-methoxyphenyl)methyl quinoxaline-6-carboxylate
PubChem CID7676729
Molecular FormulaC17H13FN2O3
Molecular Weight312.30 g/mol
Exact Mass312.09
IUPAC Name(5-fluoro-2-methoxyphenyl)methyl quinoxaline-6-carboxylate
SMILESCOc1ccc(F)cc1COC(=O)c1ccc2nccnc2c1
InChIInChI=1S/C17H13FN2O3/c1-22-16-5-3-13(18)8-12(16)10-23-17(21)11-2-4-14-15(9-11)20-7-6-19-14/h2-9H,10H2,1H3
InChIKeyOMWXQDIVSHJEBB-UHFFFAOYSA-N
XLogP3.13
TPSA61.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.30
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5-fluoro-2-methoxyphenyl)methyl quinoxaline-6-carboxylate?
The IUPAC name of (5-fluoro-2-methoxyphenyl)methyl quinoxaline-6-carboxylate (CID 7676729) is (5-fluoro-2-methoxyphenyl)methyl quinoxaline-6-carboxylate.
What is the SMILES notation for (5-fluoro-2-methoxyphenyl)methyl quinoxaline-6-carboxylate?
The canonical SMILES for (5-fluoro-2-methoxyphenyl)methyl quinoxaline-6-carboxylate is COc1ccc(F)cc1COC(=O)c1ccc2nccnc2c1.
What is the InChIKey of (5-fluoro-2-methoxyphenyl)methyl quinoxaline-6-carboxylate?
The InChIKey is OMWXQDIVSHJEBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FN2O3/c1-22-16-5-3-13(18)8-12(16)10-23-17(21)11-2-4-14-15(9-11)20-7-6-19-14/h2-9H,10H2,1H3.
What are the key properties of (5-fluoro-2-methoxyphenyl)methyl quinoxaline-6-carboxylate?
(5-fluoro-2-methoxyphenyl)methyl quinoxaline-6-carboxylate has a molecular weight of 312.30 g/mol, XLogP of 3.13, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-fluoro-2-methoxyphenyl)methyl quinoxaline-6-carboxylate is sourced from PubChem (CID 7676729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).