4-chloro-3-fluoro-N-[4-fluoro-3-(3-morpholin-4-ylquinoxaline-6-carbonyl)phenyl]benzamide

C26H19ClF2N4O3 — CID 89443057

IUPAC4-chloro-3-fluoro-N-[4-fluoro-3-(3-morpholin-4-ylquinoxaline-6-carbonyl)phenyl]benzamide
SMILESO=C(Nc1ccc(F)c(C(=O)c2ccc3ncc(N4CCOCC4)nc3c2)c1)c1ccc(Cl)c(F)c1
InChIInChI=1S/C26H19ClF2N4O3/c27-19-4-1-16(11-21(19)29)26(35)31-17-3-5-20(28)18(13-17)25(34)15-2-6-22-23(12-15)32-24(14-30-22)33-7-9-36-10-8-33/h1-6,11-14H,7-10H2,(H,31,35)
InChIKeyXJRUWKBUHUAMGS-UHFFFAOYSA-N
MW508.91 g/mol
LogP4.88
Rot. Bonds5

About 4-chloro-3-fluoro-N-[4-fluoro-3-(3-morpholin-4-ylquinoxaline-6-carbonyl)phenyl]benzamide

4-chloro-3-fluoro-N-[4-fluoro-3-(3-morpholin-4-ylquinoxaline-6-carbonyl)phenyl]benzamide (PubChem CID 89443057) has the molecular formula C26H19ClF2N4O3 and a molecular weight of 508.91 g/mol. Its IUPAC name is 4-chloro-3-fluoro-N-[4-fluoro-3-(3-morpholin-4-ylquinoxaline-6-carbonyl)phenyl]benzamide.

Molecular Properties

Compound Name4-chloro-3-fluoro-N-[4-fluoro-3-(3-morpholin-4-ylquinoxaline-6-carbonyl)phenyl]benzamide
PubChem CID89443057
Molecular FormulaC26H19ClF2N4O3
Molecular Weight508.91 g/mol
Exact Mass508.11
IUPAC Name4-chloro-3-fluoro-N-[4-fluoro-3-(3-morpholin-4-ylquinoxaline-6-carbonyl)phenyl]benzamide
SMILESO=C(Nc1ccc(F)c(C(=O)c2ccc3ncc(N4CCOCC4)nc3c2)c1)c1ccc(Cl)c(F)c1
InChIInChI=1S/C26H19ClF2N4O3/c27-19-4-1-16(11-21(19)29)26(35)31-17-3-5-20(28)18(13-17)25(34)15-2-6-22-23(12-15)32-24(14-30-22)33-7-9-36-10-8-33/h1-6,11-14H,7-10H2,(H,31,35)
InChIKeyXJRUWKBUHUAMGS-UHFFFAOYSA-N
XLogP4.88
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500508.91
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-fluoro-N-[4-fluoro-3-(3-morpholin-4-ylquinoxaline-6-carbonyl)phenyl]benzamide?
The IUPAC name of 4-chloro-3-fluoro-N-[4-fluoro-3-(3-morpholin-4-ylquinoxaline-6-carbonyl)phenyl]benzamide (CID 89443057) is 4-chloro-3-fluoro-N-[4-fluoro-3-(3-morpholin-4-ylquinoxaline-6-carbonyl)phenyl]benzamide.
What is the SMILES notation for 4-chloro-3-fluoro-N-[4-fluoro-3-(3-morpholin-4-ylquinoxaline-6-carbonyl)phenyl]benzamide?
The canonical SMILES for 4-chloro-3-fluoro-N-[4-fluoro-3-(3-morpholin-4-ylquinoxaline-6-carbonyl)phenyl]benzamide is O=C(Nc1ccc(F)c(C(=O)c2ccc3ncc(N4CCOCC4)nc3c2)c1)c1ccc(Cl)c(F)c1.
What is the InChIKey of 4-chloro-3-fluoro-N-[4-fluoro-3-(3-morpholin-4-ylquinoxaline-6-carbonyl)phenyl]benzamide?
The InChIKey is XJRUWKBUHUAMGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19ClF2N4O3/c27-19-4-1-16(11-21(19)29)26(35)31-17-3-5-20(28)18(13-17)25(34)15-2-6-22-23(12-15)32-24(14-30-22)33-7-9-36-10-8-33/h1-6,11-14H,7-10H2,(H,31,35).
What are the key properties of 4-chloro-3-fluoro-N-[4-fluoro-3-(3-morpholin-4-ylquinoxaline-6-carbonyl)phenyl]benzamide?
4-chloro-3-fluoro-N-[4-fluoro-3-(3-morpholin-4-ylquinoxaline-6-carbonyl)phenyl]benzamide has a molecular weight of 508.91 g/mol, XLogP of 4.88, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-fluoro-N-[4-fluoro-3-(3-morpholin-4-ylquinoxaline-6-carbonyl)phenyl]benzamide is sourced from PubChem (CID 89443057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).