3-(1-benzothiophen-3-yl)-6-chloro-N-ethyl-7-methoxyquinoxalin-2-amine

C19H16ClN3OS — CID 56952535

IUPAC3-(1-benzothiophen-3-yl)-6-chloro-N-ethyl-7-methoxyquinoxalin-2-amine
SMILESCCNc1nc2cc(OC)c(Cl)cc2nc1-c1csc2ccccc12
InChIInChI=1S/C19H16ClN3OS/c1-3-21-19-18(12-10-25-17-7-5-4-6-11(12)17)22-14-8-13(20)16(24-2)9-15(14)23-19/h4-10H,3H2,1-2H3,(H,21,23)
InChIKeyPUBKEEBKWUQSAA-UHFFFAOYSA-N
MW369.88 g/mol
LogP5.61
Rot. Bonds4

About 3-(1-benzothiophen-3-yl)-6-chloro-N-ethyl-7-methoxyquinoxalin-2-amine

3-(1-benzothiophen-3-yl)-6-chloro-N-ethyl-7-methoxyquinoxalin-2-amine (PubChem CID 56952535) has the molecular formula C19H16ClN3OS and a molecular weight of 369.88 g/mol. Its IUPAC name is 3-(1-benzothiophen-3-yl)-6-chloro-N-ethyl-7-methoxyquinoxalin-2-amine.

Molecular Properties

Compound Name3-(1-benzothiophen-3-yl)-6-chloro-N-ethyl-7-methoxyquinoxalin-2-amine
PubChem CID56952535
Molecular FormulaC19H16ClN3OS
Molecular Weight369.88 g/mol
Exact Mass369.07
IUPAC Name3-(1-benzothiophen-3-yl)-6-chloro-N-ethyl-7-methoxyquinoxalin-2-amine
SMILESCCNc1nc2cc(OC)c(Cl)cc2nc1-c1csc2ccccc12
InChIInChI=1S/C19H16ClN3OS/c1-3-21-19-18(12-10-25-17-7-5-4-6-11(12)17)22-14-8-13(20)16(24-2)9-15(14)23-19/h4-10H,3H2,1-2H3,(H,21,23)
InChIKeyPUBKEEBKWUQSAA-UHFFFAOYSA-N
XLogP5.61
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.88
LogP ≤ 55.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-(1-benzothiophen-3-yl)-6-chloro-N-ethyl-7-methoxyquinoxalin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(1-benzothiophen-3-yl)-6-chloro-N-ethyl-7-methoxyquinoxalin-2-amine?
The IUPAC name of 3-(1-benzothiophen-3-yl)-6-chloro-N-ethyl-7-methoxyquinoxalin-2-amine (CID 56952535) is 3-(1-benzothiophen-3-yl)-6-chloro-N-ethyl-7-methoxyquinoxalin-2-amine.
What is the SMILES notation for 3-(1-benzothiophen-3-yl)-6-chloro-N-ethyl-7-methoxyquinoxalin-2-amine?
The canonical SMILES for 3-(1-benzothiophen-3-yl)-6-chloro-N-ethyl-7-methoxyquinoxalin-2-amine is CCNc1nc2cc(OC)c(Cl)cc2nc1-c1csc2ccccc12.
What is the InChIKey of 3-(1-benzothiophen-3-yl)-6-chloro-N-ethyl-7-methoxyquinoxalin-2-amine?
The InChIKey is PUBKEEBKWUQSAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN3OS/c1-3-21-19-18(12-10-25-17-7-5-4-6-11(12)17)22-14-8-13(20)16(24-2)9-15(14)23-19/h4-10H,3H2,1-2H3,(H,21,23).
What are the key properties of 3-(1-benzothiophen-3-yl)-6-chloro-N-ethyl-7-methoxyquinoxalin-2-amine?
3-(1-benzothiophen-3-yl)-6-chloro-N-ethyl-7-methoxyquinoxalin-2-amine has a molecular weight of 369.88 g/mol, XLogP of 5.61, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-benzothiophen-3-yl)-6-chloro-N-ethyl-7-methoxyquinoxalin-2-amine is sourced from PubChem (CID 56952535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).