(4-ethoxyphenyl)-[3-(6-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]methanone

C18H21N3O4 — CID 90637338

IUPAC(4-ethoxyphenyl)-[3-(6-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]methanone
SMILESCCOc1ccc(C(=O)N2CCC(Oc3cncc(OC)n3)C2)cc1
InChIInChI=1S/C18H21N3O4/c1-3-24-14-6-4-13(5-7-14)18(22)21-9-8-15(12-21)25-17-11-19-10-16(20-17)23-2/h4-7,10-11,15H,3,8-9,12H2,1-2H3
InChIKeyWAVMNHHSSWFQKU-UHFFFAOYSA-N
MW343.38 g/mol
LogP2.18
Rot. Bonds6

About (4-ethoxyphenyl)-[3-(6-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]methanone

(4-ethoxyphenyl)-[3-(6-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]methanone (PubChem CID 90637338) has the molecular formula C18H21N3O4 and a molecular weight of 343.38 g/mol. Its IUPAC name is (4-ethoxyphenyl)-[3-(6-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(4-ethoxyphenyl)-[3-(6-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]methanone
PubChem CID90637338
Molecular FormulaC18H21N3O4
Molecular Weight343.38 g/mol
Exact Mass343.15
IUPAC Name(4-ethoxyphenyl)-[3-(6-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]methanone
SMILESCCOc1ccc(C(=O)N2CCC(Oc3cncc(OC)n3)C2)cc1
InChIInChI=1S/C18H21N3O4/c1-3-24-14-6-4-13(5-7-14)18(22)21-9-8-15(12-21)25-17-11-19-10-16(20-17)23-2/h4-7,10-11,15H,3,8-9,12H2,1-2H3
InChIKeyWAVMNHHSSWFQKU-UHFFFAOYSA-N
XLogP2.18
TPSA73.78 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(4-ethoxyphenyl)-(3-pyrazin-2-yloxypyrrolidin-1-yl)methanone
CID 90636090
[3-(6-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]-(4-pyrrol-1-ylphenyl)methanone
CID 90637267
(2-ethoxyphenyl)-[(3S)-3-(6-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]methanone
CID 100613636
[3-(6-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]-(4-nitrophenyl)methanone
CID 90637365
(5-bromo-3-pyridinyl)-[3-(6-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]methanone
CID 91627007
1-[3-(6-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]propan-1-one
CID 90637305
(3-fluoro-4-methoxyphenyl)-[3-(6-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]methanone
CID 91627040
[3-(6-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]-(3-methylphenyl)methanone
CID 90637330
1-[3-(6-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]-2-(4-propan-2-ylphenoxy)ethanone
CID 90637390
(4-ethoxyphenyl)-[3-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]methanone
CID 122261264
N-(2-ethoxyphenyl)-3-(6-methoxypyrazin-2-yl)oxypyrrolidine-1-carboxamide
CID 90637583
[3-(6-methoxypyrazin-2-yl)oxypiperidin-1-yl]-quinoxalin-6-ylmethanone
CID 91628208

Frequently Asked Questions

What is the IUPAC name of (4-ethoxyphenyl)-[3-(6-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]methanone?
The IUPAC name of (4-ethoxyphenyl)-[3-(6-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]methanone (CID 90637338) is (4-ethoxyphenyl)-[3-(6-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]methanone.
What is the SMILES notation for (4-ethoxyphenyl)-[3-(6-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]methanone?
The canonical SMILES for (4-ethoxyphenyl)-[3-(6-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]methanone is CCOc1ccc(C(=O)N2CCC(Oc3cncc(OC)n3)C2)cc1.
What is the InChIKey of (4-ethoxyphenyl)-[3-(6-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]methanone?
The InChIKey is WAVMNHHSSWFQKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O4/c1-3-24-14-6-4-13(5-7-14)18(22)21-9-8-15(12-21)25-17-11-19-10-16(20-17)23-2/h4-7,10-11,15H,3,8-9,12H2,1-2H3.
What are the key properties of (4-ethoxyphenyl)-[3-(6-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]methanone?
(4-ethoxyphenyl)-[3-(6-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]methanone has a molecular weight of 343.38 g/mol, XLogP of 2.18, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethoxyphenyl)-[3-(6-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]methanone is sourced from PubChem (CID 90637338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).