7-fluoro-2,3-dimethoxy-6-methylquinoxalin-5-amine

C11H12FN3O2 — CID 174405763

IUPAC7-fluoro-2,3-dimethoxy-6-methylquinoxalin-5-amine
SMILESCOc1nc2cc(F)c(C)c(N)c2nc1OC
InChIInChI=1S/C11H12FN3O2/c1-5-6(12)4-7-9(8(5)13)15-11(17-3)10(14-7)16-2/h4H,13H2,1-3H3
InChIKeyXYHIDAMMRANKHN-UHFFFAOYSA-N
MW237.23 g/mol
LogP1.68
Rot. Bonds2

About 7-fluoro-2,3-dimethoxy-6-methylquinoxalin-5-amine

7-fluoro-2,3-dimethoxy-6-methylquinoxalin-5-amine (PubChem CID 174405763) has the molecular formula C11H12FN3O2 and a molecular weight of 237.23 g/mol. Its IUPAC name is 7-fluoro-2,3-dimethoxy-6-methylquinoxalin-5-amine.

Molecular Properties

Compound Name7-fluoro-2,3-dimethoxy-6-methylquinoxalin-5-amine
PubChem CID174405763
Molecular FormulaC11H12FN3O2
Molecular Weight237.23 g/mol
Exact Mass237.09
IUPAC Name7-fluoro-2,3-dimethoxy-6-methylquinoxalin-5-amine
SMILESCOc1nc2cc(F)c(C)c(N)c2nc1OC
InChIInChI=1S/C11H12FN3O2/c1-5-6(12)4-7-9(8(5)13)15-11(17-3)10(14-7)16-2/h4H,13H2,1-3H3
InChIKeyXYHIDAMMRANKHN-UHFFFAOYSA-N
XLogP1.68
TPSA70.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.23
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

CID 14842752
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CID 18726746
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CID 22097023
CID 22097023
CID 23297968
CID 23297968
CID 23298016
CID 23298016
CID 23298021
CID 23298021
CID 23298034
CID 23298034
CID 23298052
CID 23298052
CID 53911566
CID 53911566
CID 54565916
CID 54565916
CID 59874532
CID 59874532

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-2,3-dimethoxy-6-methylquinoxalin-5-amine?
The IUPAC name of 7-fluoro-2,3-dimethoxy-6-methylquinoxalin-5-amine (CID 174405763) is 7-fluoro-2,3-dimethoxy-6-methylquinoxalin-5-amine.
What is the SMILES notation for 7-fluoro-2,3-dimethoxy-6-methylquinoxalin-5-amine?
The canonical SMILES for 7-fluoro-2,3-dimethoxy-6-methylquinoxalin-5-amine is COc1nc2cc(F)c(C)c(N)c2nc1OC.
What is the InChIKey of 7-fluoro-2,3-dimethoxy-6-methylquinoxalin-5-amine?
The InChIKey is XYHIDAMMRANKHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN3O2/c1-5-6(12)4-7-9(8(5)13)15-11(17-3)10(14-7)16-2/h4H,13H2,1-3H3.
What are the key properties of 7-fluoro-2,3-dimethoxy-6-methylquinoxalin-5-amine?
7-fluoro-2,3-dimethoxy-6-methylquinoxalin-5-amine has a molecular weight of 237.23 g/mol, XLogP of 1.68, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-2,3-dimethoxy-6-methylquinoxalin-5-amine is sourced from PubChem (CID 174405763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).