1-[(5-fluoro-2-methoxyphenyl)methyl]-6,7-dimethoxyquinoxalin-2-one

C18H17FN2O4 — CID 167878078

IUPAC1-[(5-fluoro-2-methoxyphenyl)methyl]-6,7-dimethoxyquinoxalin-2-one
SMILESCOc1ccc(F)cc1Cn1c(=O)cnc2cc(OC)c(OC)cc21
InChIInChI=1S/C18H17FN2O4/c1-23-15-5-4-12(19)6-11(15)10-21-14-8-17(25-3)16(24-2)7-13(14)20-9-18(21)22/h4-9H,10H2,1-3H3
InChIKeyODROQYTYPROMIW-UHFFFAOYSA-N
MW344.34 g/mol
LogP2.61
Rot. Bonds5

About 1-[(5-fluoro-2-methoxyphenyl)methyl]-6,7-dimethoxyquinoxalin-2-one

1-[(5-fluoro-2-methoxyphenyl)methyl]-6,7-dimethoxyquinoxalin-2-one (PubChem CID 167878078) has the molecular formula C18H17FN2O4 and a molecular weight of 344.34 g/mol. Its IUPAC name is 1-[(5-fluoro-2-methoxyphenyl)methyl]-6,7-dimethoxyquinoxalin-2-one.

Molecular Properties

Compound Name1-[(5-fluoro-2-methoxyphenyl)methyl]-6,7-dimethoxyquinoxalin-2-one
PubChem CID167878078
Molecular FormulaC18H17FN2O4
Molecular Weight344.34 g/mol
Exact Mass344.12
IUPAC Name1-[(5-fluoro-2-methoxyphenyl)methyl]-6,7-dimethoxyquinoxalin-2-one
SMILESCOc1ccc(F)cc1Cn1c(=O)cnc2cc(OC)c(OC)cc21
InChIInChI=1S/C18H17FN2O4/c1-23-15-5-4-12(19)6-11(15)10-21-14-8-17(25-3)16(24-2)7-13(14)20-9-18(21)22/h4-9H,10H2,1-3H3
InChIKeyODROQYTYPROMIW-UHFFFAOYSA-N
XLogP2.61
TPSA62.58 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.34
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-(3,4-Dimethoxyphenyl)-1-[(4-fluoro-2-methoxyphenyl)methyl]-2-sulfanylideneimidazolidin-4-one
CID 145974242
N-(3,4-dimethoxyphenyl)-N'-(2-phenylethyl)ethanediamide
CID 1736641
2-(4-(3,4-dimethoxyphenyl)-2,3-dioxo-3,4-dihydropyrazin-1(2H)-yl)-N-phenethylacetamide
CID 16017852
1-(3,4-dimethoxyphenyl)-4-(4-methylbenzyl)pyrazine-2,3(1H,4H)-dione
CID 16017868
N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N-methyl-2-(2-oxoquinoxalin-1-yl)acetamide
CID 25162236
(E)-N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-N-ethyl-3-(4-fluorophenyl)prop-2-enamide
CID 2555715
N-(3,4-dimethoxyphenyl)-2-[ethyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]amino]acetamide
CID 2114369
N-(3,4-dimethoxyphenyl)-1-[(2-fluorophenyl)methyl]-6-oxopyridine-3-carboxamide
CID 8697384
2-[4-(3,4-Dimethoxyphenyl)-2,3-dioxo-1,2,3,4-tetrahydropyrazin-1-YL]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 16017870
2-(4-(3,4-dimethoxyphenyl)-2,3-dioxo-3,4-dihydropyrazin-1(2H)-yl)-N-(4-methylbenzyl)acetamide
CID 16017876
1-(3,4-Dimethoxyphenyl)-3-{[(4-fluorophenyl)methyl]sulfanyl}-1,2-dihydropyrazin-2-one
CID 16823423
N-[3-(difluoromethoxy)-4-methoxyphenyl]-2-(2-oxoquinoxalin-1-yl)acetamide
CID 17512569

Frequently Asked Questions

What is the IUPAC name of 1-[(5-fluoro-2-methoxyphenyl)methyl]-6,7-dimethoxyquinoxalin-2-one?
The IUPAC name of 1-[(5-fluoro-2-methoxyphenyl)methyl]-6,7-dimethoxyquinoxalin-2-one (CID 167878078) is 1-[(5-fluoro-2-methoxyphenyl)methyl]-6,7-dimethoxyquinoxalin-2-one.
What is the SMILES notation for 1-[(5-fluoro-2-methoxyphenyl)methyl]-6,7-dimethoxyquinoxalin-2-one?
The canonical SMILES for 1-[(5-fluoro-2-methoxyphenyl)methyl]-6,7-dimethoxyquinoxalin-2-one is COc1ccc(F)cc1Cn1c(=O)cnc2cc(OC)c(OC)cc21.
What is the InChIKey of 1-[(5-fluoro-2-methoxyphenyl)methyl]-6,7-dimethoxyquinoxalin-2-one?
The InChIKey is ODROQYTYPROMIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN2O4/c1-23-15-5-4-12(19)6-11(15)10-21-14-8-17(25-3)16(24-2)7-13(14)20-9-18(21)22/h4-9H,10H2,1-3H3.
What are the key properties of 1-[(5-fluoro-2-methoxyphenyl)methyl]-6,7-dimethoxyquinoxalin-2-one?
1-[(5-fluoro-2-methoxyphenyl)methyl]-6,7-dimethoxyquinoxalin-2-one has a molecular weight of 344.34 g/mol, XLogP of 2.61, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-fluoro-2-methoxyphenyl)methyl]-6,7-dimethoxyquinoxalin-2-one is sourced from PubChem (CID 167878078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).