2-chloro-8-methoxyquinoxaline;8-methoxyquinoxalin-2-amine

C18H16ClN5O2 — CID 158220033

IUPAC2-chloro-8-methoxyquinoxaline;8-methoxyquinoxalin-2-amine
SMILESCOc1cccc2ncc(Cl)nc12.COc1cccc2ncc(N)nc12
InChIInChI=1S/C9H7ClN2O.C9H9N3O/c2*1-13-7-4-2-3-6-9(7)12-8(10)5-11-6/h2-5H,1H3;2-5H,1H3,(H2,10,12)
InChIKeyGDDBRBTYPSAGFL-UHFFFAOYSA-N
MW369.81 g/mol
LogP3.51
Rot. Bonds2

About 2-chloro-8-methoxyquinoxaline;8-methoxyquinoxalin-2-amine

2-chloro-8-methoxyquinoxaline;8-methoxyquinoxalin-2-amine (PubChem CID 158220033) has the molecular formula C18H16ClN5O2 and a molecular weight of 369.81 g/mol. Its IUPAC name is 2-chloro-8-methoxyquinoxaline;8-methoxyquinoxalin-2-amine.

Molecular Properties

Compound Name2-chloro-8-methoxyquinoxaline;8-methoxyquinoxalin-2-amine
PubChem CID158220033
Molecular FormulaC18H16ClN5O2
Molecular Weight369.81 g/mol
Exact Mass369.10
IUPAC Name2-chloro-8-methoxyquinoxaline;8-methoxyquinoxalin-2-amine
SMILESCOc1cccc2ncc(Cl)nc12.COc1cccc2ncc(N)nc12
InChIInChI=1S/C9H7ClN2O.C9H9N3O/c2*1-13-7-4-2-3-6-9(7)12-8(10)5-11-6/h2-5H,1H3;2-5H,1H3,(H2,10,12)
InChIKeyGDDBRBTYPSAGFL-UHFFFAOYSA-N
XLogP3.51
TPSA96.04 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.81
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-8-methoxyquinoxaline;8-methoxyquinoxalin-2-amine?
The IUPAC name of 2-chloro-8-methoxyquinoxaline;8-methoxyquinoxalin-2-amine (CID 158220033) is 2-chloro-8-methoxyquinoxaline;8-methoxyquinoxalin-2-amine.
What is the SMILES notation for 2-chloro-8-methoxyquinoxaline;8-methoxyquinoxalin-2-amine?
The canonical SMILES for 2-chloro-8-methoxyquinoxaline;8-methoxyquinoxalin-2-amine is COc1cccc2ncc(Cl)nc12.COc1cccc2ncc(N)nc12.
What is the InChIKey of 2-chloro-8-methoxyquinoxaline;8-methoxyquinoxalin-2-amine?
The InChIKey is GDDBRBTYPSAGFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClN2O.C9H9N3O/c2*1-13-7-4-2-3-6-9(7)12-8(10)5-11-6/h2-5H,1H3;2-5H,1H3,(H2,10,12).
What are the key properties of 2-chloro-8-methoxyquinoxaline;8-methoxyquinoxalin-2-amine?
2-chloro-8-methoxyquinoxaline;8-methoxyquinoxalin-2-amine has a molecular weight of 369.81 g/mol, XLogP of 3.51, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-8-methoxyquinoxaline;8-methoxyquinoxalin-2-amine is sourced from PubChem (CID 158220033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).