(7-fluoro-2,3-dimethoxyquinoxalin-5-yl)methanamine

C11H12FN3O2 — CID 23298016

IUPAC(7-fluoro-2,3-dimethoxyquinoxalin-5-yl)methanamine
SMILESCOc1nc2cc(F)cc(CN)c2nc1OC
InChIInChI=1S/C11H12FN3O2/c1-16-10-11(17-2)15-9-6(5-13)3-7(12)4-8(9)14-10/h3-4H,5,13H2,1-2H3
InChIKeyKMOCUZKEIUYVDJ-UHFFFAOYSA-N
MW237.23 g/mol
LogP1.24
Rot. Bonds3

About (7-fluoro-2,3-dimethoxyquinoxalin-5-yl)methanamine

(7-fluoro-2,3-dimethoxyquinoxalin-5-yl)methanamine (PubChem CID 23298016) has the molecular formula C11H12FN3O2 and a molecular weight of 237.23 g/mol. Its IUPAC name is (7-fluoro-2,3-dimethoxyquinoxalin-5-yl)methanamine.

Molecular Properties

Compound Name(7-fluoro-2,3-dimethoxyquinoxalin-5-yl)methanamine
PubChem CID23298016
Molecular FormulaC11H12FN3O2
Molecular Weight237.23 g/mol
Exact Mass237.09
IUPAC Name(7-fluoro-2,3-dimethoxyquinoxalin-5-yl)methanamine
SMILESCOc1nc2cc(F)cc(CN)c2nc1OC
InChIInChI=1S/C11H12FN3O2/c1-16-10-11(17-2)15-9-6(5-13)3-7(12)4-8(9)14-10/h3-4H,5,13H2,1-2H3
InChIKeyKMOCUZKEIUYVDJ-UHFFFAOYSA-N
XLogP1.24
TPSA70.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.23
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (7-fluoro-2,3-dimethoxyquinoxalin-5-yl)methanamine?
The IUPAC name of (7-fluoro-2,3-dimethoxyquinoxalin-5-yl)methanamine (CID 23298016) is (7-fluoro-2,3-dimethoxyquinoxalin-5-yl)methanamine.
What is the SMILES notation for (7-fluoro-2,3-dimethoxyquinoxalin-5-yl)methanamine?
The canonical SMILES for (7-fluoro-2,3-dimethoxyquinoxalin-5-yl)methanamine is COc1nc2cc(F)cc(CN)c2nc1OC.
What is the InChIKey of (7-fluoro-2,3-dimethoxyquinoxalin-5-yl)methanamine?
The InChIKey is KMOCUZKEIUYVDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN3O2/c1-16-10-11(17-2)15-9-6(5-13)3-7(12)4-8(9)14-10/h3-4H,5,13H2,1-2H3.
What are the key properties of (7-fluoro-2,3-dimethoxyquinoxalin-5-yl)methanamine?
(7-fluoro-2,3-dimethoxyquinoxalin-5-yl)methanamine has a molecular weight of 237.23 g/mol, XLogP of 1.24, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (7-fluoro-2,3-dimethoxyquinoxalin-5-yl)methanamine is sourced from PubChem (CID 23298016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).