methyl 8-[1-(3,4-difluorophenyl)pyrrolidin-2-yl]-2-morpholin-4-ylquinoxaline-6-carboxylate

C24H24F2N4O3 — CID 129030318

IUPACmethyl 8-[1-(3,4-difluorophenyl)pyrrolidin-2-yl]-2-morpholin-4-ylquinoxaline-6-carboxylate
SMILESCOC(=O)c1cc(C2CCCN2c2ccc(F)c(F)c2)c2nc(N3CCOCC3)cnc2c1
InChIInChI=1S/C24H24F2N4O3/c1-32-24(31)15-11-17(21-3-2-6-30(21)16-4-5-18(25)19(26)13-16)23-20(12-15)27-14-22(28-23)29-7-9-33-10-8-29/h4-5,11-14,21H,2-3,6-10H2,1H3
InChIKeyKCLXRUBZVROTPF-UHFFFAOYSA-N
MW454.48 g/mol
LogP3.87
Rot. Bonds4

About methyl 8-[1-(3,4-difluorophenyl)pyrrolidin-2-yl]-2-morpholin-4-ylquinoxaline-6-carboxylate

methyl 8-[1-(3,4-difluorophenyl)pyrrolidin-2-yl]-2-morpholin-4-ylquinoxaline-6-carboxylate (PubChem CID 129030318) has the molecular formula C24H24F2N4O3 and a molecular weight of 454.48 g/mol. Its IUPAC name is methyl 8-[1-(3,4-difluorophenyl)pyrrolidin-2-yl]-2-morpholin-4-ylquinoxaline-6-carboxylate.

Molecular Properties

Compound Namemethyl 8-[1-(3,4-difluorophenyl)pyrrolidin-2-yl]-2-morpholin-4-ylquinoxaline-6-carboxylate
PubChem CID129030318
Molecular FormulaC24H24F2N4O3
Molecular Weight454.48 g/mol
Exact Mass454.18
IUPAC Namemethyl 8-[1-(3,4-difluorophenyl)pyrrolidin-2-yl]-2-morpholin-4-ylquinoxaline-6-carboxylate
SMILESCOC(=O)c1cc(C2CCCN2c2ccc(F)c(F)c2)c2nc(N3CCOCC3)cnc2c1
InChIInChI=1S/C24H24F2N4O3/c1-32-24(31)15-11-17(21-3-2-6-30(21)16-4-5-18(25)19(26)13-16)23-20(12-15)27-14-22(28-23)29-7-9-33-10-8-29/h4-5,11-14,21H,2-3,6-10H2,1H3
InChIKeyKCLXRUBZVROTPF-UHFFFAOYSA-N
XLogP3.87
TPSA67.79 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.48
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze methyl 8-[1-(3,4-difluorophenyl)pyrrolidin-2-yl]-2-morpholin-4-ylquinoxaline-6-carboxylate with MolForge

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Related Compounds

[8-[1-(3,5-difluorophenyl)pyrrolidin-2-yl]-2-morpholin-4-ylquinoxalin-6-yl]-(3-hydroxyazetidin-1-yl)methanone
CID 129030391
8-[1-(3,5-difluorophenyl)pyrrolidin-2-yl]-N-(1-hydroxypropan-2-yl)-2-morpholin-4-ylquinoxaline-6-carboxamide
CID 129030082
8-[1-(6-fluoropyrazin-2-yl)pyrrolidin-2-yl]-2-morpholin-4-ylquinoxaline-6-carboxylic acid
CID 142439963
[8-[1-(3,5-difluorophenyl)pyrrolidin-2-yl]-2-morpholin-4-ylquinoxalin-6-yl]methanol
CID 129030431
N-[2-(dimethylamino)ethyl]-8-[1-(6-fluoropyrazin-2-yl)pyrrolidin-2-yl]-2-morpholin-4-ylquinoxaline-6-carboxamide
CID 142439967
methyl 8-[1-(3-fluoro-N-methylanilino)ethyl]-2-morpholin-4-ylquinoxaline-6-carboxylate
CID 129029917
2-[[8-[1-(3,5-difluorophenyl)pyrrolidin-2-yl]-2-morpholin-4-ylquinoxalin-6-yl]methyl-methylamino]ethanol
CID 129029981
methyl 8-[1-(3-fluoro-4-methylanilino)ethyl]-2-morpholin-4-ylquinoxaline-6-carboxylate
CID 129029975
methyl 8-[1-[(5-fluoro-3-pyridinyl)amino]ethyl]-2-morpholin-4-ylquinoxaline-6-carboxylate
CID 142439976
methyl 8-[1-(3-fluorophenyl)pyrrolidin-2-yl]-2-morpholin-4-yl-4-oxochromene-6-carboxylate
CID 89051670
methyl 8-[1-(4-methylphenyl)pyrrolidin-2-yl]-2-morpholin-4-yl-4-oxochromene-6-carboxylate
CID 123542059
3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-[8-[(1R)-1-(3,4-difluoroanilino)ethyl]-2-morpholin-4-ylquinoxalin-6-yl]methanone
CID 129030123

Frequently Asked Questions

What is the IUPAC name of methyl 8-[1-(3,4-difluorophenyl)pyrrolidin-2-yl]-2-morpholin-4-ylquinoxaline-6-carboxylate?
The IUPAC name of methyl 8-[1-(3,4-difluorophenyl)pyrrolidin-2-yl]-2-morpholin-4-ylquinoxaline-6-carboxylate (CID 129030318) is methyl 8-[1-(3,4-difluorophenyl)pyrrolidin-2-yl]-2-morpholin-4-ylquinoxaline-6-carboxylate.
What is the SMILES notation for methyl 8-[1-(3,4-difluorophenyl)pyrrolidin-2-yl]-2-morpholin-4-ylquinoxaline-6-carboxylate?
The canonical SMILES for methyl 8-[1-(3,4-difluorophenyl)pyrrolidin-2-yl]-2-morpholin-4-ylquinoxaline-6-carboxylate is COC(=O)c1cc(C2CCCN2c2ccc(F)c(F)c2)c2nc(N3CCOCC3)cnc2c1.
What is the InChIKey of methyl 8-[1-(3,4-difluorophenyl)pyrrolidin-2-yl]-2-morpholin-4-ylquinoxaline-6-carboxylate?
The InChIKey is KCLXRUBZVROTPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F2N4O3/c1-32-24(31)15-11-17(21-3-2-6-30(21)16-4-5-18(25)19(26)13-16)23-20(12-15)27-14-22(28-23)29-7-9-33-10-8-29/h4-5,11-14,21H,2-3,6-10H2,1H3.
What are the key properties of methyl 8-[1-(3,4-difluorophenyl)pyrrolidin-2-yl]-2-morpholin-4-ylquinoxaline-6-carboxylate?
methyl 8-[1-(3,4-difluorophenyl)pyrrolidin-2-yl]-2-morpholin-4-ylquinoxaline-6-carboxylate has a molecular weight of 454.48 g/mol, XLogP of 3.87, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 8-[1-(3,4-difluorophenyl)pyrrolidin-2-yl]-2-morpholin-4-ylquinoxaline-6-carboxylate is sourced from PubChem (CID 129030318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).