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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Related Compounds

2-[2-fluoro-4-(6-hydroxy-7-methoxyquinoxalin-2-yl)phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide
CID 137001513
2-[2-fluoro-4-(6-hydroxy-7-methoxyquinoxalin-2-yl)phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;hydrochloride
CID 137001512
3-(3-fluoro-4-methoxyphenyl)-N-hydroxyquinoxaline-6-carboxamide
CID 162733624
1-[4-[7-[2-(dimethylamino)ethoxy]-6-methoxyquinoxalin-2-yl]-2-fluorophenyl]-3-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]propan-2-one
CID 123807928
ethyl 2-[7-(3-fluoro-4-methoxyphenyl)pyrazolo[4,3-g]quinoxalin-2-yl]acetate
CID 18999825
[6-(3-fluoro-4-methoxyphenyl)pyrazolo[3,4-g]quinoxalin-2-yl]methyl butanoate
CID 67803751
2-[6-(3-fluoro-4-methoxyphenyl)pyrazolo[3,4-g]quinoxalin-2-yl]ethyl acetate
CID 18999917
(Z)-1-[4-[7-ethyl-6-[(3-methylcyclobutyl)methyl]quinoxalin-2-yl]-2-fluorophenyl]-8-fluoro-6-methoxy-7,7-dimethyl-4-methylideneoct-5-en-2-one;molecular fluorine;molecular hydrogen
CID 144800879
2-[4-(6,7-dimethoxyquinolin-2-yl)-2-fluorophenyl]-N-[3-[2-(dimethylamino)ethoxy]-5-(trifluoromethyl)phenyl]acetamide
CID 164853354
(2R)-3-[7-(3-fluoro-4-methoxyphenyl)pyrazolo[4,3-g]quinoxalin-1-yl]propane-1,2-diol
CID 67763090
methyl 2-(6-fluoro-2-methylquinolin-7-yl)acetate
CID 70983319
3-[4-[7-ethyl-6-(2-hydroxy-2-methylpropoxy)quinoxalin-2-yl]-2-fluorophenyl]-1-imino-1-[2-methylidene-6-(1,1,1-trifluoro-2-methylpropan-2-yl)pyran-4-yl]propan-2-one
CID 123671010

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).