3-ethoxy-N-(5-fluoro-2-methylphenyl)-6,7-dimethylquinoxaline-2-carboxamide

C20H20FN3O2 — CID 50780142

IUPAC3-ethoxy-N-(5-fluoro-2-methylphenyl)-6,7-dimethylquinoxaline-2-carboxamide
SMILESCCOc1nc2cc(C)c(C)cc2nc1C(=O)Nc1cc(F)ccc1C
InChIInChI=1S/C20H20FN3O2/c1-5-26-20-18(19(25)23-15-10-14(21)7-6-11(15)2)22-16-8-12(3)13(4)9-17(16)24-20/h6-10H,5H2,1-4H3,(H,23,25)
InChIKeyOQNQRBPGOSIQCJ-UHFFFAOYSA-N
MW353.40 g/mol
LogP4.35
Rot. Bonds4

About 3-ethoxy-N-(5-fluoro-2-methylphenyl)-6,7-dimethylquinoxaline-2-carboxamide

3-ethoxy-N-(5-fluoro-2-methylphenyl)-6,7-dimethylquinoxaline-2-carboxamide (PubChem CID 50780142) has the molecular formula C20H20FN3O2 and a molecular weight of 353.40 g/mol. Its IUPAC name is 3-ethoxy-N-(5-fluoro-2-methylphenyl)-6,7-dimethylquinoxaline-2-carboxamide.

Molecular Properties

Compound Name3-ethoxy-N-(5-fluoro-2-methylphenyl)-6,7-dimethylquinoxaline-2-carboxamide
PubChem CID50780142
Molecular FormulaC20H20FN3O2
Molecular Weight353.40 g/mol
Exact Mass353.15
IUPAC Name3-ethoxy-N-(5-fluoro-2-methylphenyl)-6,7-dimethylquinoxaline-2-carboxamide
SMILESCCOc1nc2cc(C)c(C)cc2nc1C(=O)Nc1cc(F)ccc1C
InChIInChI=1S/C20H20FN3O2/c1-5-26-20-18(19(25)23-15-10-14(21)7-6-11(15)2)22-16-8-12(3)13(4)9-17(16)24-20/h6-10H,5H2,1-4H3,(H,23,25)
InChIKeyOQNQRBPGOSIQCJ-UHFFFAOYSA-N
XLogP4.35
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.40
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-ethoxy-6,7-dimethyl-N-(4-methyl-2-pyridinyl)quinoxaline-2-carboxamide
CID 50780012
N-(3-acetylphenyl)-3-ethoxy-6,7-dimethylquinoxaline-2-carboxamide
CID 50780095
N-(5-chloro-2-pyridinyl)-3-ethoxy-6,7-dimethylquinoxaline-2-carboxamide
CID 50780056
N-(4-ethoxyphenyl)-6,7-dimethyl-3-propan-2-yloxyquinoxaline-2-carboxamide
CID 50779957
N-(3-chloro-4-methylphenyl)-6,7-dimethyl-3-propoxyquinoxaline-2-carboxamide
CID 50779973
N-(5-fluoro-2-methylphenyl)-4-methyl-3-oxoquinoxaline-2-carboxamide
CID 46365046
N-(5-fluoro-2-methylphenyl)-4-(methoxymethyl)benzamide
CID 8572955
ethyl 3-(5-fluoro-2-methylanilino)quinoxaline-2-carboxylate
CID 50764877
(2S)-2-amino-N-(5-fluoro-2-methylphenyl)butanamide
CID 79025044
3-methoxy-6,7-dimethyl-N-(4-methylphenyl)quinoxaline-2-carboxamide
CID 50780048
ethyl N-[3-[(5-fluoro-2-methylphenyl)carbamoyl]phenyl]carbamate
CID 17427553
N-(3-chlorophenyl)-3-ethoxyquinoxaline-2-carboxamide
CID 50780737

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-(5-fluoro-2-methylphenyl)-6,7-dimethylquinoxaline-2-carboxamide?
The IUPAC name of 3-ethoxy-N-(5-fluoro-2-methylphenyl)-6,7-dimethylquinoxaline-2-carboxamide (CID 50780142) is 3-ethoxy-N-(5-fluoro-2-methylphenyl)-6,7-dimethylquinoxaline-2-carboxamide.
What is the SMILES notation for 3-ethoxy-N-(5-fluoro-2-methylphenyl)-6,7-dimethylquinoxaline-2-carboxamide?
The canonical SMILES for 3-ethoxy-N-(5-fluoro-2-methylphenyl)-6,7-dimethylquinoxaline-2-carboxamide is CCOc1nc2cc(C)c(C)cc2nc1C(=O)Nc1cc(F)ccc1C.
What is the InChIKey of 3-ethoxy-N-(5-fluoro-2-methylphenyl)-6,7-dimethylquinoxaline-2-carboxamide?
The InChIKey is OQNQRBPGOSIQCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3O2/c1-5-26-20-18(19(25)23-15-10-14(21)7-6-11(15)2)22-16-8-12(3)13(4)9-17(16)24-20/h6-10H,5H2,1-4H3,(H,23,25).
What are the key properties of 3-ethoxy-N-(5-fluoro-2-methylphenyl)-6,7-dimethylquinoxaline-2-carboxamide?
3-ethoxy-N-(5-fluoro-2-methylphenyl)-6,7-dimethylquinoxaline-2-carboxamide has a molecular weight of 353.40 g/mol, XLogP of 4.35, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-(5-fluoro-2-methylphenyl)-6,7-dimethylquinoxaline-2-carboxamide is sourced from PubChem (CID 50780142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).