6-chloro-3-(3-chlorophenyl)-N-ethyl-7-methoxyquinoxalin-2-amine

C17H15Cl2N3O — CID 56952529

IUPAC6-chloro-3-(3-chlorophenyl)-N-ethyl-7-methoxyquinoxalin-2-amine
SMILESCCNc1nc2cc(OC)c(Cl)cc2nc1-c1cccc(Cl)c1
InChIInChI=1S/C17H15Cl2N3O/c1-3-20-17-16(10-5-4-6-11(18)7-10)21-13-8-12(19)15(23-2)9-14(13)22-17/h4-9H,3H2,1-2H3,(H,20,22)
InChIKeyRFRMSUZLMLQGTD-UHFFFAOYSA-N
MW348.23 g/mol
LogP5.04
Rot. Bonds4

About 6-chloro-3-(3-chlorophenyl)-N-ethyl-7-methoxyquinoxalin-2-amine

6-chloro-3-(3-chlorophenyl)-N-ethyl-7-methoxyquinoxalin-2-amine (PubChem CID 56952529) has the molecular formula C17H15Cl2N3O and a molecular weight of 348.23 g/mol. Its IUPAC name is 6-chloro-3-(3-chlorophenyl)-N-ethyl-7-methoxyquinoxalin-2-amine.

Molecular Properties

Compound Name6-chloro-3-(3-chlorophenyl)-N-ethyl-7-methoxyquinoxalin-2-amine
PubChem CID56952529
Molecular FormulaC17H15Cl2N3O
Molecular Weight348.23 g/mol
Exact Mass347.06
IUPAC Name6-chloro-3-(3-chlorophenyl)-N-ethyl-7-methoxyquinoxalin-2-amine
SMILESCCNc1nc2cc(OC)c(Cl)cc2nc1-c1cccc(Cl)c1
InChIInChI=1S/C17H15Cl2N3O/c1-3-20-17-16(10-5-4-6-11(18)7-10)21-13-8-12(19)15(23-2)9-14(13)22-17/h4-9H,3H2,1-2H3,(H,20,22)
InChIKeyRFRMSUZLMLQGTD-UHFFFAOYSA-N
XLogP5.04
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.23
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-(3-chlorophenyl)-N-ethyl-7-methoxyquinoxalin-2-amine?
The IUPAC name of 6-chloro-3-(3-chlorophenyl)-N-ethyl-7-methoxyquinoxalin-2-amine (CID 56952529) is 6-chloro-3-(3-chlorophenyl)-N-ethyl-7-methoxyquinoxalin-2-amine.
What is the SMILES notation for 6-chloro-3-(3-chlorophenyl)-N-ethyl-7-methoxyquinoxalin-2-amine?
The canonical SMILES for 6-chloro-3-(3-chlorophenyl)-N-ethyl-7-methoxyquinoxalin-2-amine is CCNc1nc2cc(OC)c(Cl)cc2nc1-c1cccc(Cl)c1.
What is the InChIKey of 6-chloro-3-(3-chlorophenyl)-N-ethyl-7-methoxyquinoxalin-2-amine?
The InChIKey is RFRMSUZLMLQGTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15Cl2N3O/c1-3-20-17-16(10-5-4-6-11(18)7-10)21-13-8-12(19)15(23-2)9-14(13)22-17/h4-9H,3H2,1-2H3,(H,20,22).
What are the key properties of 6-chloro-3-(3-chlorophenyl)-N-ethyl-7-methoxyquinoxalin-2-amine?
6-chloro-3-(3-chlorophenyl)-N-ethyl-7-methoxyquinoxalin-2-amine has a molecular weight of 348.23 g/mol, XLogP of 5.04, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-(3-chlorophenyl)-N-ethyl-7-methoxyquinoxalin-2-amine is sourced from PubChem (CID 56952529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).