2-[[8-[1-(3,5-difluorophenyl)pyrrolidin-2-yl]-2-morpholin-4-ylquinoxalin-6-yl]methyl-methylamino]ethanol

C26H31F2N5O2 — CID 129029981

IUPAC2-[[8-[1-(3,5-difluorophenyl)pyrrolidin-2-yl]-2-morpholin-4-ylquinoxalin-6-yl]methyl-methylamino]ethanol
SMILESCN(CCO)Cc1cc(C2CCCN2c2cc(F)cc(F)c2)c2nc(N3CCOCC3)cnc2c1
InChIInChI=1S/C26H31F2N5O2/c1-31(5-8-34)17-18-11-22(24-3-2-4-33(24)21-14-19(27)13-20(28)15-21)26-23(12-18)29-16-25(30-26)32-6-9-35-10-7-32/h11-16,24,34H,2-10,17H2,1H3
InChIKeyYKWOYMROBADUQO-UHFFFAOYSA-N
MW483.56 g/mol
LogP3.51
Rot. Bonds7

About 2-[[8-[1-(3,5-difluorophenyl)pyrrolidin-2-yl]-2-morpholin-4-ylquinoxalin-6-yl]methyl-methylamino]ethanol

2-[[8-[1-(3,5-difluorophenyl)pyrrolidin-2-yl]-2-morpholin-4-ylquinoxalin-6-yl]methyl-methylamino]ethanol (PubChem CID 129029981) has the molecular formula C26H31F2N5O2 and a molecular weight of 483.56 g/mol. Its IUPAC name is 2-[[8-[1-(3,5-difluorophenyl)pyrrolidin-2-yl]-2-morpholin-4-ylquinoxalin-6-yl]methyl-methylamino]ethanol.

Molecular Properties

Compound Name2-[[8-[1-(3,5-difluorophenyl)pyrrolidin-2-yl]-2-morpholin-4-ylquinoxalin-6-yl]methyl-methylamino]ethanol
PubChem CID129029981
Molecular FormulaC26H31F2N5O2
Molecular Weight483.56 g/mol
Exact Mass483.24
IUPAC Name2-[[8-[1-(3,5-difluorophenyl)pyrrolidin-2-yl]-2-morpholin-4-ylquinoxalin-6-yl]methyl-methylamino]ethanol
SMILESCN(CCO)Cc1cc(C2CCCN2c2cc(F)cc(F)c2)c2nc(N3CCOCC3)cnc2c1
InChIInChI=1S/C26H31F2N5O2/c1-31(5-8-34)17-18-11-22(24-3-2-4-33(24)21-14-19(27)13-20(28)15-21)26-23(12-18)29-16-25(30-26)32-6-9-35-10-7-32/h11-16,24,34H,2-10,17H2,1H3
InChIKeyYKWOYMROBADUQO-UHFFFAOYSA-N
XLogP3.51
TPSA64.96 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.56
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[[8-[1-(3,5-difluorophenyl)pyrrolidin-2-yl]-2-morpholin-4-ylquinoxalin-6-yl]methyl-methylamino]ethanol?
The IUPAC name of 2-[[8-[1-(3,5-difluorophenyl)pyrrolidin-2-yl]-2-morpholin-4-ylquinoxalin-6-yl]methyl-methylamino]ethanol (CID 129029981) is 2-[[8-[1-(3,5-difluorophenyl)pyrrolidin-2-yl]-2-morpholin-4-ylquinoxalin-6-yl]methyl-methylamino]ethanol.
What is the SMILES notation for 2-[[8-[1-(3,5-difluorophenyl)pyrrolidin-2-yl]-2-morpholin-4-ylquinoxalin-6-yl]methyl-methylamino]ethanol?
The canonical SMILES for 2-[[8-[1-(3,5-difluorophenyl)pyrrolidin-2-yl]-2-morpholin-4-ylquinoxalin-6-yl]methyl-methylamino]ethanol is CN(CCO)Cc1cc(C2CCCN2c2cc(F)cc(F)c2)c2nc(N3CCOCC3)cnc2c1.
What is the InChIKey of 2-[[8-[1-(3,5-difluorophenyl)pyrrolidin-2-yl]-2-morpholin-4-ylquinoxalin-6-yl]methyl-methylamino]ethanol?
The InChIKey is YKWOYMROBADUQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31F2N5O2/c1-31(5-8-34)17-18-11-22(24-3-2-4-33(24)21-14-19(27)13-20(28)15-21)26-23(12-18)29-16-25(30-26)32-6-9-35-10-7-32/h11-16,24,34H,2-10,17H2,1H3.
What are the key properties of 2-[[8-[1-(3,5-difluorophenyl)pyrrolidin-2-yl]-2-morpholin-4-ylquinoxalin-6-yl]methyl-methylamino]ethanol?
2-[[8-[1-(3,5-difluorophenyl)pyrrolidin-2-yl]-2-morpholin-4-ylquinoxalin-6-yl]methyl-methylamino]ethanol has a molecular weight of 483.56 g/mol, XLogP of 3.51, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[8-[1-(3,5-difluorophenyl)pyrrolidin-2-yl]-2-morpholin-4-ylquinoxalin-6-yl]methyl-methylamino]ethanol is sourced from PubChem (CID 129029981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).