6-chloro-N-ethyl-7-methoxy-3-thiophen-2-ylquinoxalin-2-amine

C15H14ClN3OS — CID 56952532

IUPAC6-chloro-N-ethyl-7-methoxy-3-thiophen-2-ylquinoxalin-2-amine
SMILESCCNc1nc2cc(OC)c(Cl)cc2nc1-c1cccs1
InChIInChI=1S/C15H14ClN3OS/c1-3-17-15-14(13-5-4-6-21-13)18-10-7-9(16)12(20-2)8-11(10)19-15/h4-8H,3H2,1-2H3,(H,17,19)
InChIKeyGWWQVXHMDZUFQO-UHFFFAOYSA-N
MW319.82 g/mol
LogP4.45
Rot. Bonds4

About 6-chloro-N-ethyl-7-methoxy-3-thiophen-2-ylquinoxalin-2-amine

6-chloro-N-ethyl-7-methoxy-3-thiophen-2-ylquinoxalin-2-amine (PubChem CID 56952532) has the molecular formula C15H14ClN3OS and a molecular weight of 319.82 g/mol. Its IUPAC name is 6-chloro-N-ethyl-7-methoxy-3-thiophen-2-ylquinoxalin-2-amine.

Molecular Properties

Compound Name6-chloro-N-ethyl-7-methoxy-3-thiophen-2-ylquinoxalin-2-amine
PubChem CID56952532
Molecular FormulaC15H14ClN3OS
Molecular Weight319.82 g/mol
Exact Mass319.05
IUPAC Name6-chloro-N-ethyl-7-methoxy-3-thiophen-2-ylquinoxalin-2-amine
SMILESCCNc1nc2cc(OC)c(Cl)cc2nc1-c1cccs1
InChIInChI=1S/C15H14ClN3OS/c1-3-17-15-14(13-5-4-6-21-13)18-10-7-9(16)12(20-2)8-11(10)19-15/h4-8H,3H2,1-2H3,(H,17,19)
InChIKeyGWWQVXHMDZUFQO-UHFFFAOYSA-N
XLogP4.45
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.82
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

CID 49830955
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CID 56952335
CID 56952335
CID 56952336
CID 56952336
CID 56952337
CID 56952337
CID 56952429
CID 56952429
CID 56952630
CID 56952630
CID 87223765
CID 87223765
CID 56952222
CID 56952222
CID 56952534
CID 56952534
CID 56952535
CID 56952535
CID 66981015
CID 66981015
CID 379473
CID 379473

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-ethyl-7-methoxy-3-thiophen-2-ylquinoxalin-2-amine?
The IUPAC name of 6-chloro-N-ethyl-7-methoxy-3-thiophen-2-ylquinoxalin-2-amine (CID 56952532) is 6-chloro-N-ethyl-7-methoxy-3-thiophen-2-ylquinoxalin-2-amine.
What is the SMILES notation for 6-chloro-N-ethyl-7-methoxy-3-thiophen-2-ylquinoxalin-2-amine?
The canonical SMILES for 6-chloro-N-ethyl-7-methoxy-3-thiophen-2-ylquinoxalin-2-amine is CCNc1nc2cc(OC)c(Cl)cc2nc1-c1cccs1.
What is the InChIKey of 6-chloro-N-ethyl-7-methoxy-3-thiophen-2-ylquinoxalin-2-amine?
The InChIKey is GWWQVXHMDZUFQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN3OS/c1-3-17-15-14(13-5-4-6-21-13)18-10-7-9(16)12(20-2)8-11(10)19-15/h4-8H,3H2,1-2H3,(H,17,19).
What are the key properties of 6-chloro-N-ethyl-7-methoxy-3-thiophen-2-ylquinoxalin-2-amine?
6-chloro-N-ethyl-7-methoxy-3-thiophen-2-ylquinoxalin-2-amine has a molecular weight of 319.82 g/mol, XLogP of 4.45, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-ethyl-7-methoxy-3-thiophen-2-ylquinoxalin-2-amine is sourced from PubChem (CID 56952532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).