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

C19H16ClN3OS — CID 56952630

IUPAC3-(1-benzothiophen-2-yl)-6-chloro-N-ethyl-7-methoxyquinoxalin-2-amine
SMILESCCNc1nc2cc(OC)c(Cl)cc2nc1-c1cc2ccccc2s1
InChIInChI=1S/C19H16ClN3OS/c1-3-21-19-18(17-8-11-6-4-5-7-16(11)25-17)22-13-9-12(20)15(24-2)10-14(13)23-19/h4-10H,3H2,1-2H3,(H,21,23)
InChIKeyMGTJZYVWWIVNTR-UHFFFAOYSA-N
MW369.88 g/mol
LogP5.61
Rot. Bonds4

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

3-(1-benzothiophen-2-yl)-6-chloro-N-ethyl-7-methoxyquinoxalin-2-amine (PubChem CID 56952630) has the molecular formula C19H16ClN3OS and a molecular weight of 369.88 g/mol. Its IUPAC name is 3-(1-benzothiophen-2-yl)-6-chloro-N-ethyl-7-methoxyquinoxalin-2-amine.

Molecular Properties

Compound Name3-(1-benzothiophen-2-yl)-6-chloro-N-ethyl-7-methoxyquinoxalin-2-amine
PubChem CID56952630
Molecular FormulaC19H16ClN3OS
Molecular Weight369.88 g/mol
Exact Mass369.07
IUPAC Name3-(1-benzothiophen-2-yl)-6-chloro-N-ethyl-7-methoxyquinoxalin-2-amine
SMILESCCNc1nc2cc(OC)c(Cl)cc2nc1-c1cc2ccccc2s1
InChIInChI=1S/C19H16ClN3OS/c1-3-21-19-18(17-8-11-6-4-5-7-16(11)25-17)22-13-9-12(20)15(24-2)10-14(13)23-19/h4-10H,3H2,1-2H3,(H,21,23)
InChIKeyMGTJZYVWWIVNTR-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

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Related Compounds

6-chloro-N-ethyl-7-methoxy-3-thiophen-2-ylquinoxalin-2-amine
CID 56952532
6-chloro-N-ethyl-7-methoxy-3-(1-methylindol-5-yl)quinoxalin-2-amine
CID 56952732
6-chloro-3-(3-chlorophenyl)-N-ethyl-7-methoxyquinoxalin-2-amine
CID 56952529
6-chloro-3-(4-chlorophenyl)-N-ethyl-7-methoxyquinoxalin-2-amine
CID 56952530
1-[5-[7-Chloro-3-(ethylamino)-6-methoxyquinoxalin-2-yl]thiophen-2-yl]ethanone
CID 56952534
3-(1-benzothiophen-3-yl)-6-chloro-N-ethyl-7-methoxyquinoxalin-2-amine
CID 56952535
6-chloro-N-ethyl-7-methoxy-3-quinolin-3-ylquinoxalin-2-amine
CID 56952635
6-chloro-N-ethyl-7-methoxy-3-(2-phenylphenyl)quinoxalin-2-amine
CID 56952735
6-chloro-N-ethyl-7-methoxy-3-naphthalen-1-ylquinoxalin-2-amine
CID 56953130
N-(3-chloro-4-methoxyphenyl)-3-thiophen-2-ylisoquinolin-1-amine
CID 58658892
2-[5-[7-Chloro-3-(ethylamino)-6-methoxyquinoxalin-2-yl]thiophen-2-yl]acetaldehyde
CID 87223787
3-(1-Benzothiophen-2-yl)-6-(2-chloroethyl)-7-methoxyquinoxalin-2-amine
CID 123315491

Frequently Asked Questions

What is the IUPAC name of 3-(1-benzothiophen-2-yl)-6-chloro-N-ethyl-7-methoxyquinoxalin-2-amine?
The IUPAC name of 3-(1-benzothiophen-2-yl)-6-chloro-N-ethyl-7-methoxyquinoxalin-2-amine (CID 56952630) is 3-(1-benzothiophen-2-yl)-6-chloro-N-ethyl-7-methoxyquinoxalin-2-amine.
What is the SMILES notation for 3-(1-benzothiophen-2-yl)-6-chloro-N-ethyl-7-methoxyquinoxalin-2-amine?
The canonical SMILES for 3-(1-benzothiophen-2-yl)-6-chloro-N-ethyl-7-methoxyquinoxalin-2-amine is CCNc1nc2cc(OC)c(Cl)cc2nc1-c1cc2ccccc2s1.
What is the InChIKey of 3-(1-benzothiophen-2-yl)-6-chloro-N-ethyl-7-methoxyquinoxalin-2-amine?
The InChIKey is MGTJZYVWWIVNTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN3OS/c1-3-21-19-18(17-8-11-6-4-5-7-16(11)25-17)22-13-9-12(20)15(24-2)10-14(13)23-19/h4-10H,3H2,1-2H3,(H,21,23).
What are the key properties of 3-(1-benzothiophen-2-yl)-6-chloro-N-ethyl-7-methoxyquinoxalin-2-amine?
3-(1-benzothiophen-2-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-2-yl)-6-chloro-N-ethyl-7-methoxyquinoxalin-2-amine is sourced from PubChem (CID 56952630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).