N-[2-(3-fluorophenyl)-2-methoxyethyl]quinoxaline-2-carboxamide

C18H16FN3O2 — CID 90622948

IUPACN-[2-(3-fluorophenyl)-2-methoxyethyl]quinoxaline-2-carboxamide
SMILESCOC(CNC(=O)c1cnc2ccccc2n1)c1cccc(F)c1
InChIInChI=1S/C18H16FN3O2/c1-24-17(12-5-4-6-13(19)9-12)11-21-18(23)16-10-20-14-7-2-3-8-15(14)22-16/h2-10,17H,11H2,1H3,(H,21,23)
InChIKeyNYNDLCUTHBQOGP-UHFFFAOYSA-N
MW325.34 g/mol
LogP2.89
Rot. Bonds5

About N-[2-(3-fluorophenyl)-2-methoxyethyl]quinoxaline-2-carboxamide

N-[2-(3-fluorophenyl)-2-methoxyethyl]quinoxaline-2-carboxamide (PubChem CID 90622948) has the molecular formula C18H16FN3O2 and a molecular weight of 325.34 g/mol. Its IUPAC name is N-[2-(3-fluorophenyl)-2-methoxyethyl]quinoxaline-2-carboxamide.

Molecular Properties

Compound NameN-[2-(3-fluorophenyl)-2-methoxyethyl]quinoxaline-2-carboxamide
PubChem CID90622948
Molecular FormulaC18H16FN3O2
Molecular Weight325.34 g/mol
Exact Mass325.12
IUPAC NameN-[2-(3-fluorophenyl)-2-methoxyethyl]quinoxaline-2-carboxamide
SMILESCOC(CNC(=O)c1cnc2ccccc2n1)c1cccc(F)c1
InChIInChI=1S/C18H16FN3O2/c1-24-17(12-5-4-6-13(19)9-12)11-21-18(23)16-10-20-14-7-2-3-8-15(14)22-16/h2-10,17H,11H2,1H3,(H,21,23)
InChIKeyNYNDLCUTHBQOGP-UHFFFAOYSA-N
XLogP2.89
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.34
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methylpropyl)quinoxaline-2-carboxamide
CID 32978197
N-[2-(3-fluorophenyl)-2-methoxyethyl]-2-methylpropanamide
CID 90622872
N-(2-aminopropyl)quinoxaline-2-carboxamide
CID 107356511
N'-[2-(3-fluorophenyl)-2-methoxyethyl]-N-(2-methoxyethyl)oxamide
CID 90623137
1-[2-(3-fluorophenyl)-2-methoxyethyl]-3-phenylurea
CID 90623219
N-[2-(3-fluorophenyl)-2-methoxyethyl]-2,4-dimethylbenzamide
CID 90622908
2,5-dichloro-N-[2-(3-fluorophenyl)-2-methoxyethyl]benzamide
CID 90622974
N-[2-(3-fluorophenyl)-2-methoxyethyl]-3-phenylpropanamide
CID 90622906
N-(2-amino-3-methylbutyl)quinoxaline-2-carboxamide
CID 103807153
N-[(2R)-2-(3-chlorophenyl)-2-methoxyethyl]-5-methylpyrazine-2-carboxamide
CID 96568600
2-(4-ethoxyphenoxy)-N-[2-(3-fluorophenyl)-2-methoxyethyl]acetamide
CID 90622981
N-(3,3-diphenylpropyl)quinoxaline-2-carboxamide
CID 7536893

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-fluorophenyl)-2-methoxyethyl]quinoxaline-2-carboxamide?
The IUPAC name of N-[2-(3-fluorophenyl)-2-methoxyethyl]quinoxaline-2-carboxamide (CID 90622948) is N-[2-(3-fluorophenyl)-2-methoxyethyl]quinoxaline-2-carboxamide.
What is the SMILES notation for N-[2-(3-fluorophenyl)-2-methoxyethyl]quinoxaline-2-carboxamide?
The canonical SMILES for N-[2-(3-fluorophenyl)-2-methoxyethyl]quinoxaline-2-carboxamide is COC(CNC(=O)c1cnc2ccccc2n1)c1cccc(F)c1.
What is the InChIKey of N-[2-(3-fluorophenyl)-2-methoxyethyl]quinoxaline-2-carboxamide?
The InChIKey is NYNDLCUTHBQOGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3O2/c1-24-17(12-5-4-6-13(19)9-12)11-21-18(23)16-10-20-14-7-2-3-8-15(14)22-16/h2-10,17H,11H2,1H3,(H,21,23).
What are the key properties of N-[2-(3-fluorophenyl)-2-methoxyethyl]quinoxaline-2-carboxamide?
N-[2-(3-fluorophenyl)-2-methoxyethyl]quinoxaline-2-carboxamide has a molecular weight of 325.34 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-fluorophenyl)-2-methoxyethyl]quinoxaline-2-carboxamide is sourced from PubChem (CID 90622948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).