7-methoxyquinoxalin-2-amine;2,2,2-trifluoroacetic acid

C11H10F3N3O3 — CID 66724631

IUPAC7-methoxyquinoxalin-2-amine;2,2,2-trifluoroacetic acid
SMILESCOc1ccc2ncc(N)nc2c1.O=C(O)C(F)(F)F
InChIInChI=1S/C9H9N3O.C2HF3O2/c1-13-6-2-3-7-8(4-6)12-9(10)5-11-7;3-2(4,5)1(6)7/h2-5H,1H3,(H2,10,12);(H,6,7)
InChIKeyDKJWBGHKXDXECN-UHFFFAOYSA-N
MW289.21 g/mol
LogP1.85
Rot. Bonds1

About 7-methoxyquinoxalin-2-amine;2,2,2-trifluoroacetic acid

7-methoxyquinoxalin-2-amine;2,2,2-trifluoroacetic acid (PubChem CID 66724631) has the molecular formula C11H10F3N3O3 and a molecular weight of 289.21 g/mol. Its IUPAC name is 7-methoxyquinoxalin-2-amine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name7-methoxyquinoxalin-2-amine;2,2,2-trifluoroacetic acid
PubChem CID66724631
Molecular FormulaC11H10F3N3O3
Molecular Weight289.21 g/mol
Exact Mass289.07
IUPAC Name7-methoxyquinoxalin-2-amine;2,2,2-trifluoroacetic acid
SMILESCOc1ccc2ncc(N)nc2c1.O=C(O)C(F)(F)F
InChIInChI=1S/C9H9N3O.C2HF3O2/c1-13-6-2-3-7-8(4-6)12-9(10)5-11-7;3-2(4,5)1(6)7/h2-5H,1H3,(H2,10,12);(H,6,7)
InChIKeyDKJWBGHKXDXECN-UHFFFAOYSA-N
XLogP1.85
TPSA98.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.21
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

quinoxalin-2-amine;2,2,2-trifluoroacetic acid
CID 174627542
6-methylquinoxalin-2-amine;2,2,2-trifluoroacetic acid
CID 66724598
2-[4-(7-methoxyquinoxalin-2-yl)oxyphenoxy]propanoic acid
CID 10807054
anisole;2,2,2-trifluoroacetic acid
CID 66633105
7-(trifluoromethyl)quinoxalin-2-amine
CID 21313066
4-methoxybenzamide;2,2,2-trifluoroacetic acid
CID 23509913
4-amino-7-methoxyquinoline-3-carboxylic acid
CID 50877276
3-(6-bromo-1H-benzimidazol-2-yl)-5-(4-methoxyphenyl)pyridin-2-amine;2,2,2-trifluoroacetic acid
CID 44525189
carbonic acid;quinoxalin-2-amine
CID 174967362
ethane;(8-methoxyphenanthridin-3-yl) trifluoromethanesulfonate
CID 167513567
ethyl 6-methoxyquinoxaline-2-carboxylate
CID 22917221
3-(4-methoxyphenyl)quinoxaline-6-carboxamide
CID 15906060

Frequently Asked Questions

What is the IUPAC name of 7-methoxyquinoxalin-2-amine;2,2,2-trifluoroacetic acid?
The IUPAC name of 7-methoxyquinoxalin-2-amine;2,2,2-trifluoroacetic acid (CID 66724631) is 7-methoxyquinoxalin-2-amine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 7-methoxyquinoxalin-2-amine;2,2,2-trifluoroacetic acid?
The canonical SMILES for 7-methoxyquinoxalin-2-amine;2,2,2-trifluoroacetic acid is COc1ccc2ncc(N)nc2c1.O=C(O)C(F)(F)F.
What is the InChIKey of 7-methoxyquinoxalin-2-amine;2,2,2-trifluoroacetic acid?
The InChIKey is DKJWBGHKXDXECN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O.C2HF3O2/c1-13-6-2-3-7-8(4-6)12-9(10)5-11-7;3-2(4,5)1(6)7/h2-5H,1H3,(H2,10,12);(H,6,7).
What are the key properties of 7-methoxyquinoxalin-2-amine;2,2,2-trifluoroacetic acid?
7-methoxyquinoxalin-2-amine;2,2,2-trifluoroacetic acid has a molecular weight of 289.21 g/mol, XLogP of 1.85, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxyquinoxalin-2-amine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 66724631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).