7-fluoro-3-methoxy-6-methylquinoxaline-2-carboxamide

C11H10FN3O2 — CID 59874560

IUPAC7-fluoro-3-methoxy-6-methylquinoxaline-2-carboxamide
SMILESCOc1nc2cc(C)c(F)cc2nc1C(N)=O
InChIInChI=1S/C11H10FN3O2/c1-5-3-7-8(4-6(5)12)14-9(10(13)16)11(15-7)17-2/h3-4H,1-2H3,(H2,13,16)
InChIKeyJBOZMOUKEJVQML-UHFFFAOYSA-N
MW235.22 g/mol
LogP1.18
Rot. Bonds2

About 7-fluoro-3-methoxy-6-methylquinoxaline-2-carboxamide

7-fluoro-3-methoxy-6-methylquinoxaline-2-carboxamide (PubChem CID 59874560) has the molecular formula C11H10FN3O2 and a molecular weight of 235.22 g/mol. Its IUPAC name is 7-fluoro-3-methoxy-6-methylquinoxaline-2-carboxamide.

Molecular Properties

Compound Name7-fluoro-3-methoxy-6-methylquinoxaline-2-carboxamide
PubChem CID59874560
Molecular FormulaC11H10FN3O2
Molecular Weight235.22 g/mol
Exact Mass235.08
IUPAC Name7-fluoro-3-methoxy-6-methylquinoxaline-2-carboxamide
SMILESCOc1nc2cc(C)c(F)cc2nc1C(N)=O
InChIInChI=1S/C11H10FN3O2/c1-5-3-7-8(4-6(5)12)14-9(10(13)16)11(15-7)17-2/h3-4H,1-2H3,(H2,13,16)
InChIKeyJBOZMOUKEJVQML-UHFFFAOYSA-N
XLogP1.18
TPSA78.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.22
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-3-methoxy-6-methylquinoxaline-2-carboxamide?
The IUPAC name of 7-fluoro-3-methoxy-6-methylquinoxaline-2-carboxamide (CID 59874560) is 7-fluoro-3-methoxy-6-methylquinoxaline-2-carboxamide.
What is the SMILES notation for 7-fluoro-3-methoxy-6-methylquinoxaline-2-carboxamide?
The canonical SMILES for 7-fluoro-3-methoxy-6-methylquinoxaline-2-carboxamide is COc1nc2cc(C)c(F)cc2nc1C(N)=O.
What is the InChIKey of 7-fluoro-3-methoxy-6-methylquinoxaline-2-carboxamide?
The InChIKey is JBOZMOUKEJVQML-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FN3O2/c1-5-3-7-8(4-6(5)12)14-9(10(13)16)11(15-7)17-2/h3-4H,1-2H3,(H2,13,16).
What are the key properties of 7-fluoro-3-methoxy-6-methylquinoxaline-2-carboxamide?
7-fluoro-3-methoxy-6-methylquinoxaline-2-carboxamide has a molecular weight of 235.22 g/mol, XLogP of 1.18, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-3-methoxy-6-methylquinoxaline-2-carboxamide is sourced from PubChem (CID 59874560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).