(3S)-N-(2-phenylethyl)-3-quinoxalin-2-yloxypyrrolidine-1-carboxamide

C21H22N4O2 — CID 164630557

IUPAC(3S)-N-(2-phenylethyl)-3-quinoxalin-2-yloxypyrrolidine-1-carboxamide
SMILESO=C(NCCc1ccccc1)N1CC[C@H](Oc2cnc3ccccc3n2)C1
InChIInChI=1S/C21H22N4O2/c26-21(22-12-10-16-6-2-1-3-7-16)25-13-11-17(15-25)27-20-14-23-18-8-4-5-9-19(18)24-20/h1-9,14,17H,10-13,15H2,(H,22,26)/t17-/m0/s1
InChIKeyZLUBTSBDWZUGMB-KRWDZBQOSA-N
MW362.43 g/mol
LogP3.04
Rot. Bonds5

About (3S)-N-(2-phenylethyl)-3-quinoxalin-2-yloxypyrrolidine-1-carboxamide

(3S)-N-(2-phenylethyl)-3-quinoxalin-2-yloxypyrrolidine-1-carboxamide (PubChem CID 164630557) has the molecular formula C21H22N4O2 and a molecular weight of 362.43 g/mol. Its IUPAC name is (3S)-N-(2-phenylethyl)-3-quinoxalin-2-yloxypyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(3S)-N-(2-phenylethyl)-3-quinoxalin-2-yloxypyrrolidine-1-carboxamide
PubChem CID164630557
Molecular FormulaC21H22N4O2
Molecular Weight362.43 g/mol
Exact Mass362.17
IUPAC Name(3S)-N-(2-phenylethyl)-3-quinoxalin-2-yloxypyrrolidine-1-carboxamide
SMILESO=C(NCCc1ccccc1)N1CC[C@H](Oc2cnc3ccccc3n2)C1
InChIInChI=1S/C21H22N4O2/c26-21(22-12-10-16-6-2-1-3-7-16)25-13-11-17(15-25)27-20-14-23-18-8-4-5-9-19(18)24-20/h1-9,14,17H,10-13,15H2,(H,22,26)/t17-/m0/s1
InChIKeyZLUBTSBDWZUGMB-KRWDZBQOSA-N
XLogP3.04
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(5-bromopyrimidin-2-yl)oxy-N-(2-phenylethyl)pyrrolidine-1-carboxamide
CID 126850690
N-tert-butyl-3-quinoxalin-2-yloxypyrrolidine-1-carboxamide
CID 126850655
3-(2,6-dimethylpyrimidin-4-yl)oxy-N-(2-phenylethyl)pyrrolidine-1-carboxamide
CID 126854667
pyridin-4-yl-(3-quinoxalin-2-yloxypyrrolidin-1-yl)methanone
CID 126850635
N-(2-phenylethyl)-3-pyrimidin-4-yloxypiperidine-1-carboxamide
CID 122161080
(2-bromophenyl)-(3-quinoxalin-2-yloxypyrrolidin-1-yl)methanone
CID 126852268
N-benzyl-3-(6-methoxypyrazin-2-yl)oxypyrrolidine-1-carboxamide
CID 90637578
furan-3-yl-(3-quinoxalin-2-yloxypyrrolidin-1-yl)methanone
CID 126854597
3-(6-methylpyridazin-3-yl)oxy-N-(3-phenylpropyl)pyrrolidine-1-carboxamide
CID 90638891
1-benzothiophen-2-yl-(3-quinoxalin-2-yloxypyrrolidin-1-yl)methanone
CID 126850645
3-[(6-methyl-2-pyridinyl)oxy]-N-(2-phenylethyl)azetidine-1-carboxamide
CID 122249689
(3-quinoxalin-2-yloxypyrrolidin-1-yl)-(2,3,4-trifluorophenyl)methanone
CID 126852274

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(2-phenylethyl)-3-quinoxalin-2-yloxypyrrolidine-1-carboxamide?
The IUPAC name of (3S)-N-(2-phenylethyl)-3-quinoxalin-2-yloxypyrrolidine-1-carboxamide (CID 164630557) is (3S)-N-(2-phenylethyl)-3-quinoxalin-2-yloxypyrrolidine-1-carboxamide.
What is the SMILES notation for (3S)-N-(2-phenylethyl)-3-quinoxalin-2-yloxypyrrolidine-1-carboxamide?
The canonical SMILES for (3S)-N-(2-phenylethyl)-3-quinoxalin-2-yloxypyrrolidine-1-carboxamide is O=C(NCCc1ccccc1)N1CC[C@H](Oc2cnc3ccccc3n2)C1.
What is the InChIKey of (3S)-N-(2-phenylethyl)-3-quinoxalin-2-yloxypyrrolidine-1-carboxamide?
The InChIKey is ZLUBTSBDWZUGMB-KRWDZBQOSA-N. The full InChI is InChI=1S/C21H22N4O2/c26-21(22-12-10-16-6-2-1-3-7-16)25-13-11-17(15-25)27-20-14-23-18-8-4-5-9-19(18)24-20/h1-9,14,17H,10-13,15H2,(H,22,26)/t17-/m0/s1.
What are the key properties of (3S)-N-(2-phenylethyl)-3-quinoxalin-2-yloxypyrrolidine-1-carboxamide?
(3S)-N-(2-phenylethyl)-3-quinoxalin-2-yloxypyrrolidine-1-carboxamide has a molecular weight of 362.43 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(2-phenylethyl)-3-quinoxalin-2-yloxypyrrolidine-1-carboxamide is sourced from PubChem (CID 164630557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).