tert-butyl (3R)-3-[[6-fluoro-4-(4-fluorophenyl)-2,3-dihydroquinoxaline-1-carbonyl]amino]pyrrolidine-1-carboxylate

C24H28F2N4O3 — CID 170612392

IUPACtert-butyl (3R)-3-[[6-fluoro-4-(4-fluorophenyl)-2,3-dihydroquinoxaline-1-carbonyl]amino]pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC[C@@H](NC(=O)N2CCN(c3ccc(F)cc3)c3cc(F)ccc32)C1
InChIInChI=1S/C24H28F2N4O3/c1-24(2,3)33-23(32)28-11-10-18(15-28)27-22(31)30-13-12-29(19-7-4-16(25)5-8-19)21-14-17(26)6-9-20(21)30/h4-9,14,18H,10-13,15H2,1-3H3,(H,27,31)/t18-/m1/s1
InChIKeyHSZNLVRMIGBAMI-GOSISDBHSA-N
MW458.51 g/mol
LogP4.64
Rot. Bonds2

About tert-butyl (3R)-3-[[6-fluoro-4-(4-fluorophenyl)-2,3-dihydroquinoxaline-1-carbonyl]amino]pyrrolidine-1-carboxylate

tert-butyl (3R)-3-[[6-fluoro-4-(4-fluorophenyl)-2,3-dihydroquinoxaline-1-carbonyl]amino]pyrrolidine-1-carboxylate (PubChem CID 170612392) has the molecular formula C24H28F2N4O3 and a molecular weight of 458.51 g/mol. Its IUPAC name is tert-butyl (3R)-3-[[6-fluoro-4-(4-fluorophenyl)-2,3-dihydroquinoxaline-1-carbonyl]amino]pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (3R)-3-[[6-fluoro-4-(4-fluorophenyl)-2,3-dihydroquinoxaline-1-carbonyl]amino]pyrrolidine-1-carboxylate
PubChem CID170612392
Molecular FormulaC24H28F2N4O3
Molecular Weight458.51 g/mol
Exact Mass458.21
IUPAC Nametert-butyl (3R)-3-[[6-fluoro-4-(4-fluorophenyl)-2,3-dihydroquinoxaline-1-carbonyl]amino]pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC[C@@H](NC(=O)N2CCN(c3ccc(F)cc3)c3cc(F)ccc32)C1
InChIInChI=1S/C24H28F2N4O3/c1-24(2,3)33-23(32)28-11-10-18(15-28)27-22(31)30-13-12-29(19-7-4-16(25)5-8-19)21-14-17(26)6-9-20(21)30/h4-9,14,18H,10-13,15H2,1-3H3,(H,27,31)/t18-/m1/s1
InChIKeyHSZNLVRMIGBAMI-GOSISDBHSA-N
XLogP4.64
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.51
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze tert-butyl (3R)-3-[[6-fluoro-4-(4-fluorophenyl)-2,3-dihydroquinoxaline-1-carbonyl]amino]pyrrolidine-1-carboxylate with MolForge

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Related Compounds

tert-butyl 4-[[6-fluoro-4-(4-fluorophenyl)-2,3-dihydroquinoxaline-1-carbonyl]amino]piperidine-1-carboxylate
CID 170439458
tert-butyl (3R)-3-[[4-(5-fluoro-2-pyridinyl)-2,3-dihydroquinoxaline-1-carbonyl]amino]pyrrolidine-1-carboxylate
CID 170612363
tert-butyl (3S)-3-(4-fluoroanilino)pyrrolidine-1-carboxylate
CID 97056055
tert-butyl (3R,4S)-3-(4-fluorophenyl)-4-hydroxypiperidine-1-carboxylate
CID 69060656
tert-butyl (3R)-3-[(4-amino-2-fluorobenzoyl)amino]pyrrolidine-1-carboxylate
CID 122598249
tert-butyl (3R)-3-[[(1S)-2-amino-1-(4-fluorophenyl)-2-oxoethyl]amino]pyrrolidine-1-carboxylate
CID 96516282
tert-butyl 3-[[1-(4-fluorophenyl)-1-hydroxypropan-2-yl]amino]pyrrolidine-1-carboxylate
CID 75471872
tert-butyl 3-[1-(3-fluorophenyl)ethylamino]pyrrolidine-1-carboxylate
CID 103711103
6-fluoro-4-(4-fluorophenyl)-N-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-2,3-dihydroquinoxaline-1-carboxamide
CID 170612399
6-fluoro-4-(4-fluorophenyl)-N-[(1-propan-2-ylazetidin-3-yl)methyl]-2,3-dihydroquinoxaline-1-carboxamide
CID 170612365
6-fluoro-4-(4-fluorophenyl)-N-[[(3R)-1-propan-2-ylpyrrolidin-3-yl]methyl]-2,3-dihydroquinoxaline-1-carboxamide
CID 170612360
tert-butyl (3S)-3-[(5-fluoro-2-methoxybenzoyl)amino]piperidine-1-carboxylate
CID 146123662

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3R)-3-[[6-fluoro-4-(4-fluorophenyl)-2,3-dihydroquinoxaline-1-carbonyl]amino]pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl (3R)-3-[[6-fluoro-4-(4-fluorophenyl)-2,3-dihydroquinoxaline-1-carbonyl]amino]pyrrolidine-1-carboxylate (CID 170612392) is tert-butyl (3R)-3-[[6-fluoro-4-(4-fluorophenyl)-2,3-dihydroquinoxaline-1-carbonyl]amino]pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl (3R)-3-[[6-fluoro-4-(4-fluorophenyl)-2,3-dihydroquinoxaline-1-carbonyl]amino]pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl (3R)-3-[[6-fluoro-4-(4-fluorophenyl)-2,3-dihydroquinoxaline-1-carbonyl]amino]pyrrolidine-1-carboxylate is CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)N2CCN(c3ccc(F)cc3)c3cc(F)ccc32)C1.
What is the InChIKey of tert-butyl (3R)-3-[[6-fluoro-4-(4-fluorophenyl)-2,3-dihydroquinoxaline-1-carbonyl]amino]pyrrolidine-1-carboxylate?
The InChIKey is HSZNLVRMIGBAMI-GOSISDBHSA-N. The full InChI is InChI=1S/C24H28F2N4O3/c1-24(2,3)33-23(32)28-11-10-18(15-28)27-22(31)30-13-12-29(19-7-4-16(25)5-8-19)21-14-17(26)6-9-20(21)30/h4-9,14,18H,10-13,15H2,1-3H3,(H,27,31)/t18-/m1/s1.
What are the key properties of tert-butyl (3R)-3-[[6-fluoro-4-(4-fluorophenyl)-2,3-dihydroquinoxaline-1-carbonyl]amino]pyrrolidine-1-carboxylate?
tert-butyl (3R)-3-[[6-fluoro-4-(4-fluorophenyl)-2,3-dihydroquinoxaline-1-carbonyl]amino]pyrrolidine-1-carboxylate has a molecular weight of 458.51 g/mol, XLogP of 4.64, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3R)-3-[[6-fluoro-4-(4-fluorophenyl)-2,3-dihydroquinoxaline-1-carbonyl]amino]pyrrolidine-1-carboxylate is sourced from PubChem (CID 170612392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).