8-[(2R)-1-(3,5-difluorophenyl)pyrrolidin-2-yl]-N,N-dimethyl-2-morpholin-4-ylquinoxaline-6-carboxamide

C25H27F2N5O2 — CID 129030296

IUPAC8-[(2R)-1-(3,5-difluorophenyl)pyrrolidin-2-yl]-N,N-dimethyl-2-morpholin-4-ylquinoxaline-6-carboxamide
SMILESCN(C)C(=O)c1cc([C@H]2CCCN2c2cc(F)cc(F)c2)c2nc(N3CCOCC3)cnc2c1
InChIInChI=1S/C25H27F2N5O2/c1-30(2)25(33)16-10-20(22-4-3-5-32(22)19-13-17(26)12-18(27)14-19)24-21(11-16)28-15-23(29-24)31-6-8-34-9-7-31/h10-15,22H,3-9H2,1-2H3/t22-/m1/s1
InChIKeyPNYSVXYTVOTZHS-JOCHJYFZSA-N
MW467.52 g/mol
LogP3.79
Rot. Bonds4

About 8-[(2R)-1-(3,5-difluorophenyl)pyrrolidin-2-yl]-N,N-dimethyl-2-morpholin-4-ylquinoxaline-6-carboxamide

8-[(2R)-1-(3,5-difluorophenyl)pyrrolidin-2-yl]-N,N-dimethyl-2-morpholin-4-ylquinoxaline-6-carboxamide (PubChem CID 129030296) has the molecular formula C25H27F2N5O2 and a molecular weight of 467.52 g/mol. Its IUPAC name is 8-[(2R)-1-(3,5-difluorophenyl)pyrrolidin-2-yl]-N,N-dimethyl-2-morpholin-4-ylquinoxaline-6-carboxamide.

Molecular Properties

Compound Name8-[(2R)-1-(3,5-difluorophenyl)pyrrolidin-2-yl]-N,N-dimethyl-2-morpholin-4-ylquinoxaline-6-carboxamide
PubChem CID129030296
Molecular FormulaC25H27F2N5O2
Molecular Weight467.52 g/mol
Exact Mass467.21
IUPAC Name8-[(2R)-1-(3,5-difluorophenyl)pyrrolidin-2-yl]-N,N-dimethyl-2-morpholin-4-ylquinoxaline-6-carboxamide
SMILESCN(C)C(=O)c1cc([C@H]2CCCN2c2cc(F)cc(F)c2)c2nc(N3CCOCC3)cnc2c1
InChIInChI=1S/C25H27F2N5O2/c1-30(2)25(33)16-10-20(22-4-3-5-32(22)19-13-17(26)12-18(27)14-19)24-21(11-16)28-15-23(29-24)31-6-8-34-9-7-31/h10-15,22H,3-9H2,1-2H3/t22-/m1/s1
InChIKeyPNYSVXYTVOTZHS-JOCHJYFZSA-N
XLogP3.79
TPSA61.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.52
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-[(2R)-1-(3,5-difluorophenyl)pyrrolidin-2-yl]-N,N-dimethyl-2-morpholin-4-ylquinoxaline-6-carboxamide?
The IUPAC name of 8-[(2R)-1-(3,5-difluorophenyl)pyrrolidin-2-yl]-N,N-dimethyl-2-morpholin-4-ylquinoxaline-6-carboxamide (CID 129030296) is 8-[(2R)-1-(3,5-difluorophenyl)pyrrolidin-2-yl]-N,N-dimethyl-2-morpholin-4-ylquinoxaline-6-carboxamide.
What is the SMILES notation for 8-[(2R)-1-(3,5-difluorophenyl)pyrrolidin-2-yl]-N,N-dimethyl-2-morpholin-4-ylquinoxaline-6-carboxamide?
The canonical SMILES for 8-[(2R)-1-(3,5-difluorophenyl)pyrrolidin-2-yl]-N,N-dimethyl-2-morpholin-4-ylquinoxaline-6-carboxamide is CN(C)C(=O)c1cc([C@H]2CCCN2c2cc(F)cc(F)c2)c2nc(N3CCOCC3)cnc2c1.
What is the InChIKey of 8-[(2R)-1-(3,5-difluorophenyl)pyrrolidin-2-yl]-N,N-dimethyl-2-morpholin-4-ylquinoxaline-6-carboxamide?
The InChIKey is PNYSVXYTVOTZHS-JOCHJYFZSA-N. The full InChI is InChI=1S/C25H27F2N5O2/c1-30(2)25(33)16-10-20(22-4-3-5-32(22)19-13-17(26)12-18(27)14-19)24-21(11-16)28-15-23(29-24)31-6-8-34-9-7-31/h10-15,22H,3-9H2,1-2H3/t22-/m1/s1.
What are the key properties of 8-[(2R)-1-(3,5-difluorophenyl)pyrrolidin-2-yl]-N,N-dimethyl-2-morpholin-4-ylquinoxaline-6-carboxamide?
8-[(2R)-1-(3,5-difluorophenyl)pyrrolidin-2-yl]-N,N-dimethyl-2-morpholin-4-ylquinoxaline-6-carboxamide has a molecular weight of 467.52 g/mol, XLogP of 3.79, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(2R)-1-(3,5-difluorophenyl)pyrrolidin-2-yl]-N,N-dimethyl-2-morpholin-4-ylquinoxaline-6-carboxamide is sourced from PubChem (CID 129030296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).