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

C23H24F2N4O2 — CID 129030431

IUPAC[8-[1-(3,5-difluorophenyl)pyrrolidin-2-yl]-2-morpholin-4-ylquinoxalin-6-yl]methanol
SMILESOCc1cc(C2CCCN2c2cc(F)cc(F)c2)c2nc(N3CCOCC3)cnc2c1
InChIInChI=1S/C23H24F2N4O2/c24-16-10-17(25)12-18(11-16)29-3-1-2-21(29)19-8-15(14-30)9-20-23(19)27-22(13-26-20)28-4-6-31-7-5-28/h8-13,21,30H,1-7,14H2
InChIKeyKFWZYLWTCNKMPV-UHFFFAOYSA-N
MW426.47 g/mol
LogP3.58
Rot. Bonds4

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

[8-[1-(3,5-difluorophenyl)pyrrolidin-2-yl]-2-morpholin-4-ylquinoxalin-6-yl]methanol (PubChem CID 129030431) has the molecular formula C23H24F2N4O2 and a molecular weight of 426.47 g/mol. Its IUPAC name is [8-[1-(3,5-difluorophenyl)pyrrolidin-2-yl]-2-morpholin-4-ylquinoxalin-6-yl]methanol.

Molecular Properties

Compound Name[8-[1-(3,5-difluorophenyl)pyrrolidin-2-yl]-2-morpholin-4-ylquinoxalin-6-yl]methanol
PubChem CID129030431
Molecular FormulaC23H24F2N4O2
Molecular Weight426.47 g/mol
Exact Mass426.19
IUPAC Name[8-[1-(3,5-difluorophenyl)pyrrolidin-2-yl]-2-morpholin-4-ylquinoxalin-6-yl]methanol
SMILESOCc1cc(C2CCCN2c2cc(F)cc(F)c2)c2nc(N3CCOCC3)cnc2c1
InChIInChI=1S/C23H24F2N4O2/c24-16-10-17(25)12-18(11-16)29-3-1-2-21(29)19-8-15(14-30)9-20-23(19)27-22(13-26-20)28-4-6-31-7-5-28/h8-13,21,30H,1-7,14H2
InChIKeyKFWZYLWTCNKMPV-UHFFFAOYSA-N
XLogP3.58
TPSA61.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.47
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [8-[1-(3,5-difluorophenyl)pyrrolidin-2-yl]-2-morpholin-4-ylquinoxalin-6-yl]methanol?
The IUPAC name of [8-[1-(3,5-difluorophenyl)pyrrolidin-2-yl]-2-morpholin-4-ylquinoxalin-6-yl]methanol (CID 129030431) is [8-[1-(3,5-difluorophenyl)pyrrolidin-2-yl]-2-morpholin-4-ylquinoxalin-6-yl]methanol.
What is the SMILES notation for [8-[1-(3,5-difluorophenyl)pyrrolidin-2-yl]-2-morpholin-4-ylquinoxalin-6-yl]methanol?
The canonical SMILES for [8-[1-(3,5-difluorophenyl)pyrrolidin-2-yl]-2-morpholin-4-ylquinoxalin-6-yl]methanol is OCc1cc(C2CCCN2c2cc(F)cc(F)c2)c2nc(N3CCOCC3)cnc2c1.
What is the InChIKey of [8-[1-(3,5-difluorophenyl)pyrrolidin-2-yl]-2-morpholin-4-ylquinoxalin-6-yl]methanol?
The InChIKey is KFWZYLWTCNKMPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F2N4O2/c24-16-10-17(25)12-18(11-16)29-3-1-2-21(29)19-8-15(14-30)9-20-23(19)27-22(13-26-20)28-4-6-31-7-5-28/h8-13,21,30H,1-7,14H2.
What are the key properties of [8-[1-(3,5-difluorophenyl)pyrrolidin-2-yl]-2-morpholin-4-ylquinoxalin-6-yl]methanol?
[8-[1-(3,5-difluorophenyl)pyrrolidin-2-yl]-2-morpholin-4-ylquinoxalin-6-yl]methanol has a molecular weight of 426.47 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [8-[1-(3,5-difluorophenyl)pyrrolidin-2-yl]-2-morpholin-4-ylquinoxalin-6-yl]methanol is sourced from PubChem (CID 129030431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).