5-[8-[3,5-difluoro-4-(morpholin-4-ylmethyl)phenyl]quinoxalin-2-yl]pyridine-2-carboxylic acid

C25H20F2N4O3 — CID 67540815

IUPAC5-[8-[3,5-difluoro-4-(morpholin-4-ylmethyl)phenyl]quinoxalin-2-yl]pyridine-2-carboxylic acid
SMILESO=C(O)c1ccc(-c2cnc3cccc(-c4cc(F)c(CN5CCOCC5)c(F)c4)c3n2)cn1
InChIInChI=1S/C25H20F2N4O3/c26-19-10-16(11-20(27)18(19)14-31-6-8-34-9-7-31)17-2-1-3-21-24(17)30-23(13-29-21)15-4-5-22(25(32)33)28-12-15/h1-5,10-13H,6-9,14H2,(H,32,33)
InChIKeyQXGRNYZJZCDLSX-UHFFFAOYSA-N
MW462.46 g/mol
LogP4.17
Rot. Bonds5

About 5-[8-[3,5-difluoro-4-(morpholin-4-ylmethyl)phenyl]quinoxalin-2-yl]pyridine-2-carboxylic acid

5-[8-[3,5-difluoro-4-(morpholin-4-ylmethyl)phenyl]quinoxalin-2-yl]pyridine-2-carboxylic acid (PubChem CID 67540815) has the molecular formula C25H20F2N4O3 and a molecular weight of 462.46 g/mol. Its IUPAC name is 5-[8-[3,5-difluoro-4-(morpholin-4-ylmethyl)phenyl]quinoxalin-2-yl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-[8-[3,5-difluoro-4-(morpholin-4-ylmethyl)phenyl]quinoxalin-2-yl]pyridine-2-carboxylic acid
PubChem CID67540815
Molecular FormulaC25H20F2N4O3
Molecular Weight462.46 g/mol
Exact Mass462.15
IUPAC Name5-[8-[3,5-difluoro-4-(morpholin-4-ylmethyl)phenyl]quinoxalin-2-yl]pyridine-2-carboxylic acid
SMILESO=C(O)c1ccc(-c2cnc3cccc(-c4cc(F)c(CN5CCOCC5)c(F)c4)c3n2)cn1
InChIInChI=1S/C25H20F2N4O3/c26-19-10-16(11-20(27)18(19)14-31-6-8-34-9-7-31)17-2-1-3-21-24(17)30-23(13-29-21)15-4-5-22(25(32)33)28-12-15/h1-5,10-13H,6-9,14H2,(H,32,33)
InChIKeyQXGRNYZJZCDLSX-UHFFFAOYSA-N
XLogP4.17
TPSA88.44 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.46
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[8-[3,5-difluoro-4-(morpholin-4-ylmethyl)phenyl]quinoxalin-2-yl]pyridine-2-carboxylic acid?
The IUPAC name of 5-[8-[3,5-difluoro-4-(morpholin-4-ylmethyl)phenyl]quinoxalin-2-yl]pyridine-2-carboxylic acid (CID 67540815) is 5-[8-[3,5-difluoro-4-(morpholin-4-ylmethyl)phenyl]quinoxalin-2-yl]pyridine-2-carboxylic acid.
What is the SMILES notation for 5-[8-[3,5-difluoro-4-(morpholin-4-ylmethyl)phenyl]quinoxalin-2-yl]pyridine-2-carboxylic acid?
The canonical SMILES for 5-[8-[3,5-difluoro-4-(morpholin-4-ylmethyl)phenyl]quinoxalin-2-yl]pyridine-2-carboxylic acid is O=C(O)c1ccc(-c2cnc3cccc(-c4cc(F)c(CN5CCOCC5)c(F)c4)c3n2)cn1.
What is the InChIKey of 5-[8-[3,5-difluoro-4-(morpholin-4-ylmethyl)phenyl]quinoxalin-2-yl]pyridine-2-carboxylic acid?
The InChIKey is QXGRNYZJZCDLSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20F2N4O3/c26-19-10-16(11-20(27)18(19)14-31-6-8-34-9-7-31)17-2-1-3-21-24(17)30-23(13-29-21)15-4-5-22(25(32)33)28-12-15/h1-5,10-13H,6-9,14H2,(H,32,33).
What are the key properties of 5-[8-[3,5-difluoro-4-(morpholin-4-ylmethyl)phenyl]quinoxalin-2-yl]pyridine-2-carboxylic acid?
5-[8-[3,5-difluoro-4-(morpholin-4-ylmethyl)phenyl]quinoxalin-2-yl]pyridine-2-carboxylic acid has a molecular weight of 462.46 g/mol, XLogP of 4.17, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[8-[3,5-difluoro-4-(morpholin-4-ylmethyl)phenyl]quinoxalin-2-yl]pyridine-2-carboxylic acid is sourced from PubChem (CID 67540815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).