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

C19H16ClN3OS — CID 123864486

IUPAC3-(1-benzothiophen-3-yl)-6-(2-chloroethyl)-7-methoxyquinoxalin-2-amine
SMILESCOc1cc2nc(N)c(-c3csc4ccccc34)nc2cc1CCCl
InChIInChI=1S/C19H16ClN3OS/c1-24-16-9-15-14(8-11(16)6-7-20)22-18(19(21)23-15)13-10-25-17-5-3-2-4-12(13)17/h2-5,8-10H,6-7H2,1H3,(H2,21,23)
InChIKeyNSNZMOBMJADFLP-UHFFFAOYSA-N
MW369.88 g/mol
LogP4.88
Rot. Bonds4

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

3-(1-benzothiophen-3-yl)-6-(2-chloroethyl)-7-methoxyquinoxalin-2-amine (PubChem CID 123864486) has the molecular formula C19H16ClN3OS and a molecular weight of 369.88 g/mol. Its IUPAC name is 3-(1-benzothiophen-3-yl)-6-(2-chloroethyl)-7-methoxyquinoxalin-2-amine.

Molecular Properties

Compound Name3-(1-benzothiophen-3-yl)-6-(2-chloroethyl)-7-methoxyquinoxalin-2-amine
PubChem CID123864486
Molecular FormulaC19H16ClN3OS
Molecular Weight369.88 g/mol
Exact Mass369.07
IUPAC Name3-(1-benzothiophen-3-yl)-6-(2-chloroethyl)-7-methoxyquinoxalin-2-amine
SMILESCOc1cc2nc(N)c(-c3csc4ccccc34)nc2cc1CCCl
InChIInChI=1S/C19H16ClN3OS/c1-24-16-9-15-14(8-11(16)6-7-20)22-18(19(21)23-15)13-10-25-17-5-3-2-4-12(13)17/h2-5,8-10H,6-7H2,1H3,(H2,21,23)
InChIKeyNSNZMOBMJADFLP-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

CID 56952630
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CID 56952535
CID 70166183
CID 70166183
CID 123153916
CID 123153916
CID 123169828
CID 123169828
CID 123315491
CID 123315491
CID 123542484
CID 123542484
CID 140090290
CID 140090290
CID 140090297
CID 140090297
CID 140090306
CID 140090306
CID 140090316
CID 140090316
CID 143638379
CID 143638379

Frequently Asked Questions

What is the IUPAC name of 3-(1-benzothiophen-3-yl)-6-(2-chloroethyl)-7-methoxyquinoxalin-2-amine?
The IUPAC name of 3-(1-benzothiophen-3-yl)-6-(2-chloroethyl)-7-methoxyquinoxalin-2-amine (CID 123864486) is 3-(1-benzothiophen-3-yl)-6-(2-chloroethyl)-7-methoxyquinoxalin-2-amine.
What is the SMILES notation for 3-(1-benzothiophen-3-yl)-6-(2-chloroethyl)-7-methoxyquinoxalin-2-amine?
The canonical SMILES for 3-(1-benzothiophen-3-yl)-6-(2-chloroethyl)-7-methoxyquinoxalin-2-amine is COc1cc2nc(N)c(-c3csc4ccccc34)nc2cc1CCCl.
What is the InChIKey of 3-(1-benzothiophen-3-yl)-6-(2-chloroethyl)-7-methoxyquinoxalin-2-amine?
The InChIKey is NSNZMOBMJADFLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN3OS/c1-24-16-9-15-14(8-11(16)6-7-20)22-18(19(21)23-15)13-10-25-17-5-3-2-4-12(13)17/h2-5,8-10H,6-7H2,1H3,(H2,21,23).
What are the key properties of 3-(1-benzothiophen-3-yl)-6-(2-chloroethyl)-7-methoxyquinoxalin-2-amine?
3-(1-benzothiophen-3-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-3-yl)-6-(2-chloroethyl)-7-methoxyquinoxalin-2-amine is sourced from PubChem (CID 123864486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).