5-bromo-N-[2-oxo-2-(3-quinoxalin-2-ylanilino)ethyl]furan-2-carboxamide

C21H15BrN4O3 — CID 2232040

IUPAC5-bromo-N-[2-oxo-2-(3-quinoxalin-2-ylanilino)ethyl]furan-2-carboxamide
SMILESO=C(CNC(=O)c1ccc(Br)o1)Nc1cccc(-c2cnc3ccccc3n2)c1
InChIInChI=1S/C21H15BrN4O3/c22-19-9-8-18(29-19)21(28)24-12-20(27)25-14-5-3-4-13(10-14)17-11-23-15-6-1-2-7-16(15)26-17/h1-11H,12H2,(H,24,28)(H,25,27)
InChIKeySWCVULINRMVIHU-UHFFFAOYSA-N
MW451.28 g/mol
LogP4.02
Rot. Bonds5

About 5-bromo-N-[2-oxo-2-(3-quinoxalin-2-ylanilino)ethyl]furan-2-carboxamide

5-bromo-N-[2-oxo-2-(3-quinoxalin-2-ylanilino)ethyl]furan-2-carboxamide (PubChem CID 2232040) has the molecular formula C21H15BrN4O3 and a molecular weight of 451.28 g/mol. Its IUPAC name is 5-bromo-N-[2-oxo-2-(3-quinoxalin-2-ylanilino)ethyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[2-oxo-2-(3-quinoxalin-2-ylanilino)ethyl]furan-2-carboxamide
PubChem CID2232040
Molecular FormulaC21H15BrN4O3
Molecular Weight451.28 g/mol
Exact Mass450.03
IUPAC Name5-bromo-N-[2-oxo-2-(3-quinoxalin-2-ylanilino)ethyl]furan-2-carboxamide
SMILESO=C(CNC(=O)c1ccc(Br)o1)Nc1cccc(-c2cnc3ccccc3n2)c1
InChIInChI=1S/C21H15BrN4O3/c22-19-9-8-18(29-19)21(28)24-12-20(27)25-14-5-3-4-13(10-14)17-11-23-15-6-1-2-7-16(15)26-17/h1-11H,12H2,(H,24,28)(H,25,27)
InChIKeySWCVULINRMVIHU-UHFFFAOYSA-N
XLogP4.02
TPSA97.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.28
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[2-oxo-2-(3-quinoxalin-2-ylanilino)ethyl]furan-2-carboxamide?
The IUPAC name of 5-bromo-N-[2-oxo-2-(3-quinoxalin-2-ylanilino)ethyl]furan-2-carboxamide (CID 2232040) is 5-bromo-N-[2-oxo-2-(3-quinoxalin-2-ylanilino)ethyl]furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[2-oxo-2-(3-quinoxalin-2-ylanilino)ethyl]furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-[2-oxo-2-(3-quinoxalin-2-ylanilino)ethyl]furan-2-carboxamide is O=C(CNC(=O)c1ccc(Br)o1)Nc1cccc(-c2cnc3ccccc3n2)c1.
What is the InChIKey of 5-bromo-N-[2-oxo-2-(3-quinoxalin-2-ylanilino)ethyl]furan-2-carboxamide?
The InChIKey is SWCVULINRMVIHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15BrN4O3/c22-19-9-8-18(29-19)21(28)24-12-20(27)25-14-5-3-4-13(10-14)17-11-23-15-6-1-2-7-16(15)26-17/h1-11H,12H2,(H,24,28)(H,25,27).
What are the key properties of 5-bromo-N-[2-oxo-2-(3-quinoxalin-2-ylanilino)ethyl]furan-2-carboxamide?
5-bromo-N-[2-oxo-2-(3-quinoxalin-2-ylanilino)ethyl]furan-2-carboxamide has a molecular weight of 451.28 g/mol, XLogP of 4.02, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[2-oxo-2-(3-quinoxalin-2-ylanilino)ethyl]furan-2-carboxamide is sourced from PubChem (CID 2232040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).