3-(5-chlorothiophen-2-yl)-2-(4-fluorophenyl)-N-[2-(1H-imidazol-2-yl)ethyl]quinoxaline-6-carboxamide

C24H17ClFN5OS — CID 118453994

IUPAC3-(5-chlorothiophen-2-yl)-2-(4-fluorophenyl)-N-[2-(1H-imidazol-2-yl)ethyl]quinoxaline-6-carboxamide
SMILESO=C(NCCc1ncc[nH]1)c1ccc2nc(-c3ccc(F)cc3)c(-c3ccc(Cl)s3)nc2c1
InChIInChI=1S/C24H17ClFN5OS/c25-20-8-7-19(33-20)23-22(14-1-4-16(26)5-2-14)30-17-6-3-15(13-18(17)31-23)24(32)29-10-9-21-27-11-12-28-21/h1-8,11-13H,9-10H2,(H,27,28)(H,29,32)
InChIKeyCEQWEXLRDQMXMM-UHFFFAOYSA-N
MW477.95 g/mol
LogP5.51
Rot. Bonds6

About 3-(5-chlorothiophen-2-yl)-2-(4-fluorophenyl)-N-[2-(1H-imidazol-2-yl)ethyl]quinoxaline-6-carboxamide

3-(5-chlorothiophen-2-yl)-2-(4-fluorophenyl)-N-[2-(1H-imidazol-2-yl)ethyl]quinoxaline-6-carboxamide (PubChem CID 118453994) has the molecular formula C24H17ClFN5OS and a molecular weight of 477.95 g/mol. Its IUPAC name is 3-(5-chlorothiophen-2-yl)-2-(4-fluorophenyl)-N-[2-(1H-imidazol-2-yl)ethyl]quinoxaline-6-carboxamide.

Molecular Properties

Compound Name3-(5-chlorothiophen-2-yl)-2-(4-fluorophenyl)-N-[2-(1H-imidazol-2-yl)ethyl]quinoxaline-6-carboxamide
PubChem CID118453994
Molecular FormulaC24H17ClFN5OS
Molecular Weight477.95 g/mol
Exact Mass477.08
IUPAC Name3-(5-chlorothiophen-2-yl)-2-(4-fluorophenyl)-N-[2-(1H-imidazol-2-yl)ethyl]quinoxaline-6-carboxamide
SMILESO=C(NCCc1ncc[nH]1)c1ccc2nc(-c3ccc(F)cc3)c(-c3ccc(Cl)s3)nc2c1
InChIInChI=1S/C24H17ClFN5OS/c25-20-8-7-19(33-20)23-22(14-1-4-16(26)5-2-14)30-17-6-3-15(13-18(17)31-23)24(32)29-10-9-21-27-11-12-28-21/h1-8,11-13H,9-10H2,(H,27,28)(H,29,32)
InChIKeyCEQWEXLRDQMXMM-UHFFFAOYSA-N
XLogP5.51
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.95
LogP ≤ 55.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(5-chlorothiophen-2-yl)-2-(4-fluorophenyl)-N-[2-(1H-imidazol-2-yl)ethyl]quinoxaline-6-carboxamide?
The IUPAC name of 3-(5-chlorothiophen-2-yl)-2-(4-fluorophenyl)-N-[2-(1H-imidazol-2-yl)ethyl]quinoxaline-6-carboxamide (CID 118453994) is 3-(5-chlorothiophen-2-yl)-2-(4-fluorophenyl)-N-[2-(1H-imidazol-2-yl)ethyl]quinoxaline-6-carboxamide.
What is the SMILES notation for 3-(5-chlorothiophen-2-yl)-2-(4-fluorophenyl)-N-[2-(1H-imidazol-2-yl)ethyl]quinoxaline-6-carboxamide?
The canonical SMILES for 3-(5-chlorothiophen-2-yl)-2-(4-fluorophenyl)-N-[2-(1H-imidazol-2-yl)ethyl]quinoxaline-6-carboxamide is O=C(NCCc1ncc[nH]1)c1ccc2nc(-c3ccc(F)cc3)c(-c3ccc(Cl)s3)nc2c1.
What is the InChIKey of 3-(5-chlorothiophen-2-yl)-2-(4-fluorophenyl)-N-[2-(1H-imidazol-2-yl)ethyl]quinoxaline-6-carboxamide?
The InChIKey is CEQWEXLRDQMXMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17ClFN5OS/c25-20-8-7-19(33-20)23-22(14-1-4-16(26)5-2-14)30-17-6-3-15(13-18(17)31-23)24(32)29-10-9-21-27-11-12-28-21/h1-8,11-13H,9-10H2,(H,27,28)(H,29,32).
What are the key properties of 3-(5-chlorothiophen-2-yl)-2-(4-fluorophenyl)-N-[2-(1H-imidazol-2-yl)ethyl]quinoxaline-6-carboxamide?
3-(5-chlorothiophen-2-yl)-2-(4-fluorophenyl)-N-[2-(1H-imidazol-2-yl)ethyl]quinoxaline-6-carboxamide has a molecular weight of 477.95 g/mol, XLogP of 5.51, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chlorothiophen-2-yl)-2-(4-fluorophenyl)-N-[2-(1H-imidazol-2-yl)ethyl]quinoxaline-6-carboxamide is sourced from PubChem (CID 118453994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).