8-[1-(6-fluoropyrazin-2-yl)pyrrolidin-2-yl]-2-morpholin-4-ylquinoxaline-6-carboxylic acid

C21H21FN6O3 — CID 142439963

IUPAC8-[1-(6-fluoropyrazin-2-yl)pyrrolidin-2-yl]-2-morpholin-4-ylquinoxaline-6-carboxylic acid
SMILESO=C(O)c1cc(C2CCCN2c2cncc(F)n2)c2nc(N3CCOCC3)cnc2c1
InChIInChI=1S/C21H21FN6O3/c22-17-10-23-11-19(25-17)28-3-1-2-16(28)14-8-13(21(29)30)9-15-20(14)26-18(12-24-15)27-4-6-31-7-5-27/h8-12,16H,1-7H2,(H,29,30)
InChIKeyNENYPQAIUJMLBG-UHFFFAOYSA-N
MW424.44 g/mol
LogP2.44
Rot. Bonds4

About 8-[1-(6-fluoropyrazin-2-yl)pyrrolidin-2-yl]-2-morpholin-4-ylquinoxaline-6-carboxylic acid

8-[1-(6-fluoropyrazin-2-yl)pyrrolidin-2-yl]-2-morpholin-4-ylquinoxaline-6-carboxylic acid (PubChem CID 142439963) has the molecular formula C21H21FN6O3 and a molecular weight of 424.44 g/mol. Its IUPAC name is 8-[1-(6-fluoropyrazin-2-yl)pyrrolidin-2-yl]-2-morpholin-4-ylquinoxaline-6-carboxylic acid.

Molecular Properties

Compound Name8-[1-(6-fluoropyrazin-2-yl)pyrrolidin-2-yl]-2-morpholin-4-ylquinoxaline-6-carboxylic acid
PubChem CID142439963
Molecular FormulaC21H21FN6O3
Molecular Weight424.44 g/mol
Exact Mass424.17
IUPAC Name8-[1-(6-fluoropyrazin-2-yl)pyrrolidin-2-yl]-2-morpholin-4-ylquinoxaline-6-carboxylic acid
SMILESO=C(O)c1cc(C2CCCN2c2cncc(F)n2)c2nc(N3CCOCC3)cnc2c1
InChIInChI=1S/C21H21FN6O3/c22-17-10-23-11-19(25-17)28-3-1-2-16(28)14-8-13(21(29)30)9-15-20(14)26-18(12-24-15)27-4-6-31-7-5-27/h8-12,16H,1-7H2,(H,29,30)
InChIKeyNENYPQAIUJMLBG-UHFFFAOYSA-N
XLogP2.44
TPSA104.57 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.44
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-[2-(dimethylamino)ethyl]-8-[1-(6-fluoropyrazin-2-yl)pyrrolidin-2-yl]-2-morpholin-4-ylquinoxaline-6-carboxamide
CID 142439967
[8-[1-(3,5-difluorophenyl)pyrrolidin-2-yl]-2-morpholin-4-ylquinoxalin-6-yl]-(3-hydroxyazetidin-1-yl)methanone
CID 129030391
methyl 8-[1-(3,4-difluorophenyl)pyrrolidin-2-yl]-2-morpholin-4-ylquinoxaline-6-carboxylate
CID 129030318
8-[1-(3,5-difluorophenyl)pyrrolidin-2-yl]-N-(1-hydroxypropan-2-yl)-2-morpholin-4-ylquinoxaline-6-carboxamide
CID 129030082
[8-[1-(3,5-difluorophenyl)pyrrolidin-2-yl]-2-morpholin-4-ylquinoxalin-6-yl]methanol
CID 129030431
2-[[8-[1-(3,5-difluorophenyl)pyrrolidin-2-yl]-2-morpholin-4-ylquinoxalin-6-yl]methyl-methylamino]ethanol
CID 129029981
8-[1-(3-fluoro-N-methylanilino)ethyl]-2-morpholin-4-ylquinoxaline-6-carboxylic acid
CID 129030184
bis(2-morpholin-4-ylquinoxalin-6-yl)methanone
CID 151491691
methyl 8-[1-[(5-fluoro-3-pyridinyl)amino]ethyl]-2-morpholin-4-ylquinoxaline-6-carboxylate
CID 142439976
tert-butyl 2-[7-(4-methylpiperazine-1-carbonyl)-3-morpholin-4-ylquinoxalin-5-yl]-2,5-dihydropyrrole-1-carboxylate
CID 129030303
8-bromo-2-(2-methylmorpholin-4-yl)quinoxaline-6-carboxylic acid
CID 129030010
tert-butyl (2R)-2-[[[8-[1-(3,4-difluoroanilino)ethyl]-2-morpholin-4-ylquinoxaline-6-carbonyl]amino]methyl]pyrrolidine-1-carboxylate
CID 129030458

Frequently Asked Questions

What is the IUPAC name of 8-[1-(6-fluoropyrazin-2-yl)pyrrolidin-2-yl]-2-morpholin-4-ylquinoxaline-6-carboxylic acid?
The IUPAC name of 8-[1-(6-fluoropyrazin-2-yl)pyrrolidin-2-yl]-2-morpholin-4-ylquinoxaline-6-carboxylic acid (CID 142439963) is 8-[1-(6-fluoropyrazin-2-yl)pyrrolidin-2-yl]-2-morpholin-4-ylquinoxaline-6-carboxylic acid.
What is the SMILES notation for 8-[1-(6-fluoropyrazin-2-yl)pyrrolidin-2-yl]-2-morpholin-4-ylquinoxaline-6-carboxylic acid?
The canonical SMILES for 8-[1-(6-fluoropyrazin-2-yl)pyrrolidin-2-yl]-2-morpholin-4-ylquinoxaline-6-carboxylic acid is O=C(O)c1cc(C2CCCN2c2cncc(F)n2)c2nc(N3CCOCC3)cnc2c1.
What is the InChIKey of 8-[1-(6-fluoropyrazin-2-yl)pyrrolidin-2-yl]-2-morpholin-4-ylquinoxaline-6-carboxylic acid?
The InChIKey is NENYPQAIUJMLBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN6O3/c22-17-10-23-11-19(25-17)28-3-1-2-16(28)14-8-13(21(29)30)9-15-20(14)26-18(12-24-15)27-4-6-31-7-5-27/h8-12,16H,1-7H2,(H,29,30).
What are the key properties of 8-[1-(6-fluoropyrazin-2-yl)pyrrolidin-2-yl]-2-morpholin-4-ylquinoxaline-6-carboxylic acid?
8-[1-(6-fluoropyrazin-2-yl)pyrrolidin-2-yl]-2-morpholin-4-ylquinoxaline-6-carboxylic acid has a molecular weight of 424.44 g/mol, XLogP of 2.44, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[1-(6-fluoropyrazin-2-yl)pyrrolidin-2-yl]-2-morpholin-4-ylquinoxaline-6-carboxylic acid is sourced from PubChem (CID 142439963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).