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

C17H16ClN3O2S — CID 87223787

IUPAC2-[5-[7-chloro-3-(ethylamino)-6-methoxyquinoxalin-2-yl]thiophen-2-yl]acetaldehyde
SMILESCCNc1nc2cc(OC)c(Cl)cc2nc1-c1ccc(CC=O)s1
InChIInChI=1S/C17H16ClN3O2S/c1-3-19-17-16(15-5-4-10(24-15)6-7-22)20-12-8-11(18)14(23-2)9-13(12)21-17/h4-5,7-9H,3,6H2,1-2H3,(H,19,21)
InChIKeyVFSVYOAXWWNXNG-UHFFFAOYSA-N
MW361.85 g/mol
LogP4.19
Rot. Bonds6

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

2-[5-[7-chloro-3-(ethylamino)-6-methoxyquinoxalin-2-yl]thiophen-2-yl]acetaldehyde (PubChem CID 87223787) has the molecular formula C17H16ClN3O2S and a molecular weight of 361.85 g/mol. Its IUPAC name is 2-[5-[7-chloro-3-(ethylamino)-6-methoxyquinoxalin-2-yl]thiophen-2-yl]acetaldehyde.

Molecular Properties

Compound Name2-[5-[7-chloro-3-(ethylamino)-6-methoxyquinoxalin-2-yl]thiophen-2-yl]acetaldehyde
PubChem CID87223787
Molecular FormulaC17H16ClN3O2S
Molecular Weight361.85 g/mol
Exact Mass361.07
IUPAC Name2-[5-[7-chloro-3-(ethylamino)-6-methoxyquinoxalin-2-yl]thiophen-2-yl]acetaldehyde
SMILESCCNc1nc2cc(OC)c(Cl)cc2nc1-c1ccc(CC=O)s1
InChIInChI=1S/C17H16ClN3O2S/c1-3-19-17-16(15-5-4-10(24-15)6-7-22)20-12-8-11(18)14(23-2)9-13(12)21-17/h4-5,7-9H,3,6H2,1-2H3,(H,19,21)
InChIKeyVFSVYOAXWWNXNG-UHFFFAOYSA-N
XLogP4.19
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.85
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[7-chloro-3-(ethylamino)-6-methoxyquinoxalin-2-yl]thiophen-2-yl]acetaldehyde?
The IUPAC name of 2-[5-[7-chloro-3-(ethylamino)-6-methoxyquinoxalin-2-yl]thiophen-2-yl]acetaldehyde (CID 87223787) is 2-[5-[7-chloro-3-(ethylamino)-6-methoxyquinoxalin-2-yl]thiophen-2-yl]acetaldehyde.
What is the SMILES notation for 2-[5-[7-chloro-3-(ethylamino)-6-methoxyquinoxalin-2-yl]thiophen-2-yl]acetaldehyde?
The canonical SMILES for 2-[5-[7-chloro-3-(ethylamino)-6-methoxyquinoxalin-2-yl]thiophen-2-yl]acetaldehyde is CCNc1nc2cc(OC)c(Cl)cc2nc1-c1ccc(CC=O)s1.
What is the InChIKey of 2-[5-[7-chloro-3-(ethylamino)-6-methoxyquinoxalin-2-yl]thiophen-2-yl]acetaldehyde?
The InChIKey is VFSVYOAXWWNXNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3O2S/c1-3-19-17-16(15-5-4-10(24-15)6-7-22)20-12-8-11(18)14(23-2)9-13(12)21-17/h4-5,7-9H,3,6H2,1-2H3,(H,19,21).
What are the key properties of 2-[5-[7-chloro-3-(ethylamino)-6-methoxyquinoxalin-2-yl]thiophen-2-yl]acetaldehyde?
2-[5-[7-chloro-3-(ethylamino)-6-methoxyquinoxalin-2-yl]thiophen-2-yl]acetaldehyde has a molecular weight of 361.85 g/mol, XLogP of 4.19, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[7-chloro-3-(ethylamino)-6-methoxyquinoxalin-2-yl]thiophen-2-yl]acetaldehyde is sourced from PubChem (CID 87223787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).