1-[5-[7-chloro-3-(ethylamino)-6-methoxyquinoxalin-2-yl]thiophen-2-yl]ethanone

C17H16ClN3O2S — CID 56952534

IUPAC1-[5-[7-chloro-3-(ethylamino)-6-methoxyquinoxalin-2-yl]thiophen-2-yl]ethanone
SMILESCCNc1nc2cc(OC)c(Cl)cc2nc1-c1ccc(C(C)=O)s1
InChIInChI=1S/C17H16ClN3O2S/c1-4-19-17-16(15-6-5-14(24-15)9(2)22)20-11-7-10(18)13(23-3)8-12(11)21-17/h5-8H,4H2,1-3H3,(H,19,21)
InChIKeyWGJRSLPGYFHMTG-UHFFFAOYSA-N
MW361.85 g/mol
LogP4.65
Rot. Bonds5

About 1-[5-[7-chloro-3-(ethylamino)-6-methoxyquinoxalin-2-yl]thiophen-2-yl]ethanone

1-[5-[7-chloro-3-(ethylamino)-6-methoxyquinoxalin-2-yl]thiophen-2-yl]ethanone (PubChem CID 56952534) has the molecular formula C17H16ClN3O2S and a molecular weight of 361.85 g/mol. Its IUPAC name is 1-[5-[7-chloro-3-(ethylamino)-6-methoxyquinoxalin-2-yl]thiophen-2-yl]ethanone.

Molecular Properties

Compound Name1-[5-[7-chloro-3-(ethylamino)-6-methoxyquinoxalin-2-yl]thiophen-2-yl]ethanone
PubChem CID56952534
Molecular FormulaC17H16ClN3O2S
Molecular Weight361.85 g/mol
Exact Mass361.07
IUPAC Name1-[5-[7-chloro-3-(ethylamino)-6-methoxyquinoxalin-2-yl]thiophen-2-yl]ethanone
SMILESCCNc1nc2cc(OC)c(Cl)cc2nc1-c1ccc(C(C)=O)s1
InChIInChI=1S/C17H16ClN3O2S/c1-4-19-17-16(15-6-5-14(24-15)9(2)22)20-11-7-10(18)13(23-3)8-12(11)21-17/h5-8H,4H2,1-3H3,(H,19,21)
InChIKeyWGJRSLPGYFHMTG-UHFFFAOYSA-N
XLogP4.65
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.85
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[5-[7-chloro-3-(ethylamino)-6-methoxyquinoxalin-2-yl]thiophen-2-yl]ethanone?
The IUPAC name of 1-[5-[7-chloro-3-(ethylamino)-6-methoxyquinoxalin-2-yl]thiophen-2-yl]ethanone (CID 56952534) is 1-[5-[7-chloro-3-(ethylamino)-6-methoxyquinoxalin-2-yl]thiophen-2-yl]ethanone.
What is the SMILES notation for 1-[5-[7-chloro-3-(ethylamino)-6-methoxyquinoxalin-2-yl]thiophen-2-yl]ethanone?
The canonical SMILES for 1-[5-[7-chloro-3-(ethylamino)-6-methoxyquinoxalin-2-yl]thiophen-2-yl]ethanone is CCNc1nc2cc(OC)c(Cl)cc2nc1-c1ccc(C(C)=O)s1.
What is the InChIKey of 1-[5-[7-chloro-3-(ethylamino)-6-methoxyquinoxalin-2-yl]thiophen-2-yl]ethanone?
The InChIKey is WGJRSLPGYFHMTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3O2S/c1-4-19-17-16(15-6-5-14(24-15)9(2)22)20-11-7-10(18)13(23-3)8-12(11)21-17/h5-8H,4H2,1-3H3,(H,19,21).
What are the key properties of 1-[5-[7-chloro-3-(ethylamino)-6-methoxyquinoxalin-2-yl]thiophen-2-yl]ethanone?
1-[5-[7-chloro-3-(ethylamino)-6-methoxyquinoxalin-2-yl]thiophen-2-yl]ethanone has a molecular weight of 361.85 g/mol, XLogP of 4.65, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[7-chloro-3-(ethylamino)-6-methoxyquinoxalin-2-yl]thiophen-2-yl]ethanone is sourced from PubChem (CID 56952534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).