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

C26H19ClFN5O — CID 118463642

IUPAC3-(3-chlorophenyl)-2-(4-fluorophenyl)-N-[2-(1H-imidazol-2-yl)ethyl]quinoxaline-6-carboxamide
SMILESO=C(NCCc1ncc[nH]1)c1ccc2nc(-c3ccc(F)cc3)c(-c3cccc(Cl)c3)nc2c1
InChIInChI=1S/C26H19ClFN5O/c27-19-3-1-2-17(14-19)25-24(16-4-7-20(28)8-5-16)32-21-9-6-18(15-22(21)33-25)26(34)31-11-10-23-29-12-13-30-23/h1-9,12-15H,10-11H2,(H,29,30)(H,31,34)
InChIKeyPWZJEEUZVXMSIZ-UHFFFAOYSA-N
MW471.92 g/mol
LogP5.45
Rot. Bonds6

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

3-(3-chlorophenyl)-2-(4-fluorophenyl)-N-[2-(1H-imidazol-2-yl)ethyl]quinoxaline-6-carboxamide (PubChem CID 118463642) has the molecular formula C26H19ClFN5O and a molecular weight of 471.92 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-2-(4-fluorophenyl)-N-[2-(1H-imidazol-2-yl)ethyl]quinoxaline-6-carboxamide.

Molecular Properties

Compound Name3-(3-chlorophenyl)-2-(4-fluorophenyl)-N-[2-(1H-imidazol-2-yl)ethyl]quinoxaline-6-carboxamide
PubChem CID118463642
Molecular FormulaC26H19ClFN5O
Molecular Weight471.92 g/mol
Exact Mass471.13
IUPAC Name3-(3-chlorophenyl)-2-(4-fluorophenyl)-N-[2-(1H-imidazol-2-yl)ethyl]quinoxaline-6-carboxamide
SMILESO=C(NCCc1ncc[nH]1)c1ccc2nc(-c3ccc(F)cc3)c(-c3cccc(Cl)c3)nc2c1
InChIInChI=1S/C26H19ClFN5O/c27-19-3-1-2-17(14-19)25-24(16-4-7-20(28)8-5-16)32-21-9-6-18(15-22(21)33-25)26(34)31-11-10-23-29-12-13-30-23/h1-9,12-15H,10-11H2,(H,29,30)(H,31,34)
InChIKeyPWZJEEUZVXMSIZ-UHFFFAOYSA-N
XLogP5.45
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.92
LogP ≤ 55.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)-2-(4-fluorophenyl)-N-[2-(1H-imidazol-2-yl)ethyl]quinoxaline-6-carboxamide?
The IUPAC name of 3-(3-chlorophenyl)-2-(4-fluorophenyl)-N-[2-(1H-imidazol-2-yl)ethyl]quinoxaline-6-carboxamide (CID 118463642) is 3-(3-chlorophenyl)-2-(4-fluorophenyl)-N-[2-(1H-imidazol-2-yl)ethyl]quinoxaline-6-carboxamide.
What is the SMILES notation for 3-(3-chlorophenyl)-2-(4-fluorophenyl)-N-[2-(1H-imidazol-2-yl)ethyl]quinoxaline-6-carboxamide?
The canonical SMILES for 3-(3-chlorophenyl)-2-(4-fluorophenyl)-N-[2-(1H-imidazol-2-yl)ethyl]quinoxaline-6-carboxamide is O=C(NCCc1ncc[nH]1)c1ccc2nc(-c3ccc(F)cc3)c(-c3cccc(Cl)c3)nc2c1.
What is the InChIKey of 3-(3-chlorophenyl)-2-(4-fluorophenyl)-N-[2-(1H-imidazol-2-yl)ethyl]quinoxaline-6-carboxamide?
The InChIKey is PWZJEEUZVXMSIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19ClFN5O/c27-19-3-1-2-17(14-19)25-24(16-4-7-20(28)8-5-16)32-21-9-6-18(15-22(21)33-25)26(34)31-11-10-23-29-12-13-30-23/h1-9,12-15H,10-11H2,(H,29,30)(H,31,34).
What are the key properties of 3-(3-chlorophenyl)-2-(4-fluorophenyl)-N-[2-(1H-imidazol-2-yl)ethyl]quinoxaline-6-carboxamide?
3-(3-chlorophenyl)-2-(4-fluorophenyl)-N-[2-(1H-imidazol-2-yl)ethyl]quinoxaline-6-carboxamide has a molecular weight of 471.92 g/mol, XLogP of 5.45, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)-2-(4-fluorophenyl)-N-[2-(1H-imidazol-2-yl)ethyl]quinoxaline-6-carboxamide is sourced from PubChem (CID 118463642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).