tert-butyl (2R)-2-[[[4-(4-fluorophenyl)-2,3-dihydroquinoxaline-1-carbonyl]amino]methyl]pyrrolidine-1-carboxylate

C25H31FN4O3 — CID 170439513

IUPACtert-butyl (2R)-2-[[[4-(4-fluorophenyl)-2,3-dihydroquinoxaline-1-carbonyl]amino]methyl]pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC[C@@H]1CNC(=O)N1CCN(c2ccc(F)cc2)c2ccccc21
InChIInChI=1S/C25H31FN4O3/c1-25(2,3)33-24(32)29-14-6-7-20(29)17-27-23(31)30-16-15-28(19-12-10-18(26)11-13-19)21-8-4-5-9-22(21)30/h4-5,8-13,20H,6-7,14-17H2,1-3H3,(H,27,31)/t20-/m1/s1
InChIKeyVSZCZSUVOKAONF-HXUWFJFHSA-N
MW454.55 g/mol
LogP4.89
Rot. Bonds3

About tert-butyl (2R)-2-[[[4-(4-fluorophenyl)-2,3-dihydroquinoxaline-1-carbonyl]amino]methyl]pyrrolidine-1-carboxylate

tert-butyl (2R)-2-[[[4-(4-fluorophenyl)-2,3-dihydroquinoxaline-1-carbonyl]amino]methyl]pyrrolidine-1-carboxylate (PubChem CID 170439513) has the molecular formula C25H31FN4O3 and a molecular weight of 454.55 g/mol. Its IUPAC name is tert-butyl (2R)-2-[[[4-(4-fluorophenyl)-2,3-dihydroquinoxaline-1-carbonyl]amino]methyl]pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2R)-2-[[[4-(4-fluorophenyl)-2,3-dihydroquinoxaline-1-carbonyl]amino]methyl]pyrrolidine-1-carboxylate
PubChem CID170439513
Molecular FormulaC25H31FN4O3
Molecular Weight454.55 g/mol
Exact Mass454.24
IUPAC Nametert-butyl (2R)-2-[[[4-(4-fluorophenyl)-2,3-dihydroquinoxaline-1-carbonyl]amino]methyl]pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC[C@@H]1CNC(=O)N1CCN(c2ccc(F)cc2)c2ccccc21
InChIInChI=1S/C25H31FN4O3/c1-25(2,3)33-24(32)29-14-6-7-20(29)17-27-23(31)30-16-15-28(19-12-10-18(26)11-13-19)21-8-4-5-9-22(21)30/h4-5,8-13,20H,6-7,14-17H2,1-3H3,(H,27,31)/t20-/m1/s1
InChIKeyVSZCZSUVOKAONF-HXUWFJFHSA-N
XLogP4.89
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.55
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze tert-butyl (2R)-2-[[[4-(4-fluorophenyl)-2,3-dihydroquinoxaline-1-carbonyl]amino]methyl]pyrrolidine-1-carboxylate with MolForge

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Related Compounds

tert-butyl 2-[(4-fluoroanilino)methyl]pyrrolidine-1-carboxylate
CID 103846096
6-fluoro-4-(4-fluorophenyl)-N-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-2,3-dihydroquinoxaline-1-carboxamide
CID 170612399
tert-butyl 2-[[(4-fluorophenyl)carbamoylamino]methyl]piperidine-1-carboxylate
CID 23450132
tert-butyl 2-[[(3-fluorobenzoyl)amino]methyl]pyrrolidine-1-carboxylate
CID 123815493
tert-butyl 2-[[(2-fluorobenzoyl)amino]methyl]piperidine-1-carboxylate
CID 86848385
tert-butyl 4-[[6-fluoro-4-(4-fluorophenyl)-2,3-dihydroquinoxaline-1-carbonyl]amino]piperidine-1-carboxylate
CID 170439458
tert-butyl 2-[[(2-aminoacetyl)amino]methyl]pyrrolidine-1-carboxylate
CID 66563910
tert-butyl 2-[2-(4-fluorophenyl)-2-oxoethyl]pyrrolidine-1-carboxylate
CID 103724029
tert-butyl (2R)-2-[[(2-fluorophenyl)methylsulfonylamino]methyl]pyrrolidine-1-carboxylate
CID 97172828
tert-butyl (3R)-3-[[6-fluoro-4-(4-fluorophenyl)-2,3-dihydroquinoxaline-1-carbonyl]amino]pyrrolidine-1-carboxylate
CID 170612392
tert-butyl 2-[(2-phenylsulfanylethylamino)methyl]pyrrolidine-1-carboxylate
CID 106638013
tert-butyl 2-[(2,4,6-trifluoroanilino)methyl]pyrrolidine-1-carboxylate
CID 106638684

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R)-2-[[[4-(4-fluorophenyl)-2,3-dihydroquinoxaline-1-carbonyl]amino]methyl]pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl (2R)-2-[[[4-(4-fluorophenyl)-2,3-dihydroquinoxaline-1-carbonyl]amino]methyl]pyrrolidine-1-carboxylate (CID 170439513) is tert-butyl (2R)-2-[[[4-(4-fluorophenyl)-2,3-dihydroquinoxaline-1-carbonyl]amino]methyl]pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2R)-2-[[[4-(4-fluorophenyl)-2,3-dihydroquinoxaline-1-carbonyl]amino]methyl]pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl (2R)-2-[[[4-(4-fluorophenyl)-2,3-dihydroquinoxaline-1-carbonyl]amino]methyl]pyrrolidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC[C@@H]1CNC(=O)N1CCN(c2ccc(F)cc2)c2ccccc21.
What is the InChIKey of tert-butyl (2R)-2-[[[4-(4-fluorophenyl)-2,3-dihydroquinoxaline-1-carbonyl]amino]methyl]pyrrolidine-1-carboxylate?
The InChIKey is VSZCZSUVOKAONF-HXUWFJFHSA-N. The full InChI is InChI=1S/C25H31FN4O3/c1-25(2,3)33-24(32)29-14-6-7-20(29)17-27-23(31)30-16-15-28(19-12-10-18(26)11-13-19)21-8-4-5-9-22(21)30/h4-5,8-13,20H,6-7,14-17H2,1-3H3,(H,27,31)/t20-/m1/s1.
What are the key properties of tert-butyl (2R)-2-[[[4-(4-fluorophenyl)-2,3-dihydroquinoxaline-1-carbonyl]amino]methyl]pyrrolidine-1-carboxylate?
tert-butyl (2R)-2-[[[4-(4-fluorophenyl)-2,3-dihydroquinoxaline-1-carbonyl]amino]methyl]pyrrolidine-1-carboxylate has a molecular weight of 454.55 g/mol, XLogP of 4.89, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R)-2-[[[4-(4-fluorophenyl)-2,3-dihydroquinoxaline-1-carbonyl]amino]methyl]pyrrolidine-1-carboxylate is sourced from PubChem (CID 170439513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).