N-tert-butyl-3-quinoxalin-2-yloxypyrrolidine-1-carboxamide

C17H22N4O2 — CID 126850655

IUPACN-tert-butyl-3-quinoxalin-2-yloxypyrrolidine-1-carboxamide
SMILESCC(C)(C)NC(=O)N1CCC(Oc2cnc3ccccc3n2)C1
InChIInChI=1S/C17H22N4O2/c1-17(2,3)20-16(22)21-9-8-12(11-21)23-15-10-18-13-6-4-5-7-14(13)19-15/h4-7,10,12H,8-9,11H2,1-3H3,(H,20,22)
InChIKeyHAHRBZQJJMONMI-UHFFFAOYSA-N
MW314.39 g/mol
LogP2.59
Rot. Bonds2

About N-tert-butyl-3-quinoxalin-2-yloxypyrrolidine-1-carboxamide

N-tert-butyl-3-quinoxalin-2-yloxypyrrolidine-1-carboxamide (PubChem CID 126850655) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is N-tert-butyl-3-quinoxalin-2-yloxypyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-3-quinoxalin-2-yloxypyrrolidine-1-carboxamide
PubChem CID126850655
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC NameN-tert-butyl-3-quinoxalin-2-yloxypyrrolidine-1-carboxamide
SMILESCC(C)(C)NC(=O)N1CCC(Oc2cnc3ccccc3n2)C1
InChIInChI=1S/C17H22N4O2/c1-17(2,3)20-16(22)21-9-8-12(11-21)23-15-10-18-13-6-4-5-7-14(13)19-15/h4-7,10,12H,8-9,11H2,1-3H3,(H,20,22)
InChIKeyHAHRBZQJJMONMI-UHFFFAOYSA-N
XLogP2.59
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-N-(2-phenylethyl)-3-quinoxalin-2-yloxypyrrolidine-1-carboxamide
CID 164630557
pyridin-4-yl-(3-quinoxalin-2-yloxypyrrolidin-1-yl)methanone
CID 126850635
1-benzothiophen-2-yl-(3-quinoxalin-2-yloxypyrrolidin-1-yl)methanone
CID 126850645
(2-bromophenyl)-(3-quinoxalin-2-yloxypyrrolidin-1-yl)methanone
CID 126852268
furan-3-yl-(3-quinoxalin-2-yloxypyrrolidin-1-yl)methanone
CID 126854597
1-methyl-4-(4-quinoxalin-2-yloxypiperidine-1-carbonyl)pyrrolidin-2-one
CID 90560043
(3-quinoxalin-2-yloxypyrrolidin-1-yl)-(2,3,4-trifluorophenyl)methanone
CID 126852274
2-(4-propan-2-ylphenoxy)-1-(3-quinoxalin-2-yloxypyrrolidin-1-yl)ethanone
CID 126850631
ethyl 2-oxo-2-(4-quinoxalin-2-yloxypiperidin-1-yl)acetate
CID 90559847
N-(4-ethoxyphenyl)-4-quinoxalin-2-yloxypiperidine-1-carboxamide
CID 90560057
(3R)-N-tert-butyl-3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidine-1-carboxamide
CID 100738596
N-tert-butyl-3-[6-(dimethylamino)pyridazin-3-yl]oxypyrrolidine-1-carboxamide
CID 90639762

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-quinoxalin-2-yloxypyrrolidine-1-carboxamide?
The IUPAC name of N-tert-butyl-3-quinoxalin-2-yloxypyrrolidine-1-carboxamide (CID 126850655) is N-tert-butyl-3-quinoxalin-2-yloxypyrrolidine-1-carboxamide.
What is the SMILES notation for N-tert-butyl-3-quinoxalin-2-yloxypyrrolidine-1-carboxamide?
The canonical SMILES for N-tert-butyl-3-quinoxalin-2-yloxypyrrolidine-1-carboxamide is CC(C)(C)NC(=O)N1CCC(Oc2cnc3ccccc3n2)C1.
What is the InChIKey of N-tert-butyl-3-quinoxalin-2-yloxypyrrolidine-1-carboxamide?
The InChIKey is HAHRBZQJJMONMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-17(2,3)20-16(22)21-9-8-12(11-21)23-15-10-18-13-6-4-5-7-14(13)19-15/h4-7,10,12H,8-9,11H2,1-3H3,(H,20,22).
What are the key properties of N-tert-butyl-3-quinoxalin-2-yloxypyrrolidine-1-carboxamide?
N-tert-butyl-3-quinoxalin-2-yloxypyrrolidine-1-carboxamide has a molecular weight of 314.39 g/mol, XLogP of 2.59, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-quinoxalin-2-yloxypyrrolidine-1-carboxamide is sourced from PubChem (CID 126850655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).