3-ethoxy-N-(2-fluorophenyl)-6,7-dimethylquinoxaline-2-carboxamide

C19H18FN3O2 — CID 50779885

IUPAC3-ethoxy-N-(2-fluorophenyl)-6,7-dimethylquinoxaline-2-carboxamide
SMILESCCOc1nc2cc(C)c(C)cc2nc1C(=O)Nc1ccccc1F
InChIInChI=1S/C19H18FN3O2/c1-4-25-19-17(18(24)22-14-8-6-5-7-13(14)20)21-15-9-11(2)12(3)10-16(15)23-19/h5-10H,4H2,1-3H3,(H,22,24)
InChIKeyPBSWETDAKXHJQH-UHFFFAOYSA-N
MW339.37 g/mol
LogP4.04
Rot. Bonds4

About 3-ethoxy-N-(2-fluorophenyl)-6,7-dimethylquinoxaline-2-carboxamide

3-ethoxy-N-(2-fluorophenyl)-6,7-dimethylquinoxaline-2-carboxamide (PubChem CID 50779885) has the molecular formula C19H18FN3O2 and a molecular weight of 339.37 g/mol. Its IUPAC name is 3-ethoxy-N-(2-fluorophenyl)-6,7-dimethylquinoxaline-2-carboxamide.

Molecular Properties

Compound Name3-ethoxy-N-(2-fluorophenyl)-6,7-dimethylquinoxaline-2-carboxamide
PubChem CID50779885
Molecular FormulaC19H18FN3O2
Molecular Weight339.37 g/mol
Exact Mass339.14
IUPAC Name3-ethoxy-N-(2-fluorophenyl)-6,7-dimethylquinoxaline-2-carboxamide
SMILESCCOc1nc2cc(C)c(C)cc2nc1C(=O)Nc1ccccc1F
InChIInChI=1S/C19H18FN3O2/c1-4-25-19-17(18(24)22-14-8-6-5-7-13(14)20)21-15-9-11(2)12(3)10-16(15)23-19/h5-10H,4H2,1-3H3,(H,22,24)
InChIKeyPBSWETDAKXHJQH-UHFFFAOYSA-N
XLogP4.04
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.37
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-(2-fluorophenyl)-6,7-dimethylquinoxaline-2-carboxamide?
The IUPAC name of 3-ethoxy-N-(2-fluorophenyl)-6,7-dimethylquinoxaline-2-carboxamide (CID 50779885) is 3-ethoxy-N-(2-fluorophenyl)-6,7-dimethylquinoxaline-2-carboxamide.
What is the SMILES notation for 3-ethoxy-N-(2-fluorophenyl)-6,7-dimethylquinoxaline-2-carboxamide?
The canonical SMILES for 3-ethoxy-N-(2-fluorophenyl)-6,7-dimethylquinoxaline-2-carboxamide is CCOc1nc2cc(C)c(C)cc2nc1C(=O)Nc1ccccc1F.
What is the InChIKey of 3-ethoxy-N-(2-fluorophenyl)-6,7-dimethylquinoxaline-2-carboxamide?
The InChIKey is PBSWETDAKXHJQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O2/c1-4-25-19-17(18(24)22-14-8-6-5-7-13(14)20)21-15-9-11(2)12(3)10-16(15)23-19/h5-10H,4H2,1-3H3,(H,22,24).
What are the key properties of 3-ethoxy-N-(2-fluorophenyl)-6,7-dimethylquinoxaline-2-carboxamide?
3-ethoxy-N-(2-fluorophenyl)-6,7-dimethylquinoxaline-2-carboxamide has a molecular weight of 339.37 g/mol, XLogP of 4.04, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-(2-fluorophenyl)-6,7-dimethylquinoxaline-2-carboxamide is sourced from PubChem (CID 50779885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).