3-(1-benzothiophen-2-yl)-6-(2-chloroethyl)-7-methoxyquinoxalin-2-amine

C19H16ClN3OS — CID 123315491

IUPAC3-(1-benzothiophen-2-yl)-6-(2-chloroethyl)-7-methoxyquinoxalin-2-amine
SMILESCOc1cc2nc(N)c(-c3cc4ccccc4s3)nc2cc1CCCl
InChIInChI=1S/C19H16ClN3OS/c1-24-15-10-14-13(8-11(15)6-7-20)22-18(19(21)23-14)17-9-12-4-2-3-5-16(12)25-17/h2-5,8-10H,6-7H2,1H3,(H2,21,23)
InChIKeyZHXFBUFGLLXNDO-UHFFFAOYSA-N
MW369.88 g/mol
LogP4.88
Rot. Bonds4

About 3-(1-benzothiophen-2-yl)-6-(2-chloroethyl)-7-methoxyquinoxalin-2-amine

3-(1-benzothiophen-2-yl)-6-(2-chloroethyl)-7-methoxyquinoxalin-2-amine (PubChem CID 123315491) has the molecular formula C19H16ClN3OS and a molecular weight of 369.88 g/mol. Its IUPAC name is 3-(1-benzothiophen-2-yl)-6-(2-chloroethyl)-7-methoxyquinoxalin-2-amine.

Molecular Properties

Compound Name3-(1-benzothiophen-2-yl)-6-(2-chloroethyl)-7-methoxyquinoxalin-2-amine
PubChem CID123315491
Molecular FormulaC19H16ClN3OS
Molecular Weight369.88 g/mol
Exact Mass369.07
IUPAC Name3-(1-benzothiophen-2-yl)-6-(2-chloroethyl)-7-methoxyquinoxalin-2-amine
SMILESCOc1cc2nc(N)c(-c3cc4ccccc4s3)nc2cc1CCCl
InChIInChI=1S/C19H16ClN3OS/c1-24-15-10-14-13(8-11(15)6-7-20)22-18(19(21)23-14)17-9-12-4-2-3-5-16(12)25-17/h2-5,8-10H,6-7H2,1H3,(H2,21,23)
InChIKeyZHXFBUFGLLXNDO-UHFFFAOYSA-N
XLogP4.88
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.88
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

3-(1-benzothiophen-2-yl)-6-chloro-N-ethyl-7-methoxyquinoxalin-2-amine
CID 56952630
3-(1-benzothiophen-3-yl)-6-chloro-N-ethyl-7-methoxyquinoxalin-2-amine
CID 56952535
6-(2-Chloroethyl)-7-methoxy-3-naphthalen-1-ylquinoxalin-2-amine
CID 123153916
6-(2-Chloroethyl)-7-methoxy-3-(2-phenylphenyl)quinoxalin-2-amine
CID 123169828
3,6-Bis(2-chloroethyl)-7-methoxyquinoxalin-2-amine
CID 123358672
6-(2-Chloroethyl)-7-methoxy-3-thiophen-2-ylquinoxalin-2-amine
CID 123542484
3-(1-Benzothiophen-3-yl)-6-(2-chloroethyl)-7-methoxyquinoxalin-2-amine
CID 123864486
7-Methoxy-6-thiophen-2-ylquinoxalin-2-amine
CID 140090290
6-Methoxy-7-thiophen-2-ylquinoxalin-2-amine
CID 140090297
7-Methoxy-6-thiophen-3-ylquinoxalin-2-amine
CID 140090306
6-Methoxy-7-thiophen-3-ylquinoxalin-2-amine
CID 140090316

Frequently Asked Questions

What is the IUPAC name of 3-(1-benzothiophen-2-yl)-6-(2-chloroethyl)-7-methoxyquinoxalin-2-amine?
The IUPAC name of 3-(1-benzothiophen-2-yl)-6-(2-chloroethyl)-7-methoxyquinoxalin-2-amine (CID 123315491) is 3-(1-benzothiophen-2-yl)-6-(2-chloroethyl)-7-methoxyquinoxalin-2-amine.
What is the SMILES notation for 3-(1-benzothiophen-2-yl)-6-(2-chloroethyl)-7-methoxyquinoxalin-2-amine?
The canonical SMILES for 3-(1-benzothiophen-2-yl)-6-(2-chloroethyl)-7-methoxyquinoxalin-2-amine is COc1cc2nc(N)c(-c3cc4ccccc4s3)nc2cc1CCCl.
What is the InChIKey of 3-(1-benzothiophen-2-yl)-6-(2-chloroethyl)-7-methoxyquinoxalin-2-amine?
The InChIKey is ZHXFBUFGLLXNDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN3OS/c1-24-15-10-14-13(8-11(15)6-7-20)22-18(19(21)23-14)17-9-12-4-2-3-5-16(12)25-17/h2-5,8-10H,6-7H2,1H3,(H2,21,23).
What are the key properties of 3-(1-benzothiophen-2-yl)-6-(2-chloroethyl)-7-methoxyquinoxalin-2-amine?
3-(1-benzothiophen-2-yl)-6-(2-chloroethyl)-7-methoxyquinoxalin-2-amine has a molecular weight of 369.88 g/mol, XLogP of 4.88, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-benzothiophen-2-yl)-6-(2-chloroethyl)-7-methoxyquinoxalin-2-amine is sourced from PubChem (CID 123315491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).