methyl 2-[4-(6,7-dimethoxyquinoxalin-2-yl)-2-fluorophenyl]acetate

C19H17FN2O4 — CID 164853359

IUPACmethyl 2-[4-(6,7-dimethoxyquinoxalin-2-yl)-2-fluorophenyl]acetate
SMILESCOC(=O)Cc1ccc(-c2cnc3cc(OC)c(OC)cc3n2)cc1F
InChIInChI=1S/C19H17FN2O4/c1-24-17-8-14-15(9-18(17)25-2)22-16(10-21-14)12-5-4-11(13(20)6-12)7-19(23)26-3/h4-6,8-10H,7H2,1-3H3
InChIKeyLKPQDSNWSFHKAE-UHFFFAOYSA-N
MW356.35 g/mol
LogP3.17
Rot. Bonds5

About methyl 2-[4-(6,7-dimethoxyquinoxalin-2-yl)-2-fluorophenyl]acetate

methyl 2-[4-(6,7-dimethoxyquinoxalin-2-yl)-2-fluorophenyl]acetate (PubChem CID 164853359) has the molecular formula C19H17FN2O4 and a molecular weight of 356.35 g/mol. Its IUPAC name is methyl 2-[4-(6,7-dimethoxyquinoxalin-2-yl)-2-fluorophenyl]acetate.

Molecular Properties

Compound Namemethyl 2-[4-(6,7-dimethoxyquinoxalin-2-yl)-2-fluorophenyl]acetate
PubChem CID164853359
Molecular FormulaC19H17FN2O4
Molecular Weight356.35 g/mol
Exact Mass356.12
IUPAC Namemethyl 2-[4-(6,7-dimethoxyquinoxalin-2-yl)-2-fluorophenyl]acetate
SMILESCOC(=O)Cc1ccc(-c2cnc3cc(OC)c(OC)cc3n2)cc1F
InChIInChI=1S/C19H17FN2O4/c1-24-17-8-14-15(9-18(17)25-2)22-16(10-21-14)12-5-4-11(13(20)6-12)7-19(23)26-3/h4-6,8-10H,7H2,1-3H3
InChIKeyLKPQDSNWSFHKAE-UHFFFAOYSA-N
XLogP3.17
TPSA70.54 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.35
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-(6,7-dimethoxyquinoxalin-2-yl)-2-fluorophenyl]acetate?
The IUPAC name of methyl 2-[4-(6,7-dimethoxyquinoxalin-2-yl)-2-fluorophenyl]acetate (CID 164853359) is methyl 2-[4-(6,7-dimethoxyquinoxalin-2-yl)-2-fluorophenyl]acetate.
What is the SMILES notation for methyl 2-[4-(6,7-dimethoxyquinoxalin-2-yl)-2-fluorophenyl]acetate?
The canonical SMILES for methyl 2-[4-(6,7-dimethoxyquinoxalin-2-yl)-2-fluorophenyl]acetate is COC(=O)Cc1ccc(-c2cnc3cc(OC)c(OC)cc3n2)cc1F.
What is the InChIKey of methyl 2-[4-(6,7-dimethoxyquinoxalin-2-yl)-2-fluorophenyl]acetate?
The InChIKey is LKPQDSNWSFHKAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN2O4/c1-24-17-8-14-15(9-18(17)25-2)22-16(10-21-14)12-5-4-11(13(20)6-12)7-19(23)26-3/h4-6,8-10H,7H2,1-3H3.
What are the key properties of methyl 2-[4-(6,7-dimethoxyquinoxalin-2-yl)-2-fluorophenyl]acetate?
methyl 2-[4-(6,7-dimethoxyquinoxalin-2-yl)-2-fluorophenyl]acetate has a molecular weight of 356.35 g/mol, XLogP of 3.17, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-(6,7-dimethoxyquinoxalin-2-yl)-2-fluorophenyl]acetate is sourced from PubChem (CID 164853359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).