(3S)-1-[2-[3-(3-fluorophenyl)-7-methoxyquinoxalin-6-yl]oxyethyl]pyrrolidin-3-ol

C21H22FN3O3 — CID 141446519

IUPAC(3S)-1-[2-[3-(3-fluorophenyl)-7-methoxyquinoxalin-6-yl]oxyethyl]pyrrolidin-3-ol
SMILESCOc1cc2ncc(-c3cccc(F)c3)nc2cc1OCCN1CC[C@H](O)C1
InChIInChI=1S/C21H22FN3O3/c1-27-20-10-17-18(11-21(20)28-8-7-25-6-5-16(26)13-25)24-19(12-23-17)14-3-2-4-15(22)9-14/h2-4,9-12,16,26H,5-8,13H2,1H3/t16-/m0/s1
InChIKeyISTBRONFJMXCAX-INIZCTEOSA-N
MW383.42 g/mol
LogP2.89
Rot. Bonds6

About (3S)-1-[2-[3-(3-fluorophenyl)-7-methoxyquinoxalin-6-yl]oxyethyl]pyrrolidin-3-ol

(3S)-1-[2-[3-(3-fluorophenyl)-7-methoxyquinoxalin-6-yl]oxyethyl]pyrrolidin-3-ol (PubChem CID 141446519) has the molecular formula C21H22FN3O3 and a molecular weight of 383.42 g/mol. Its IUPAC name is (3S)-1-[2-[3-(3-fluorophenyl)-7-methoxyquinoxalin-6-yl]oxyethyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name(3S)-1-[2-[3-(3-fluorophenyl)-7-methoxyquinoxalin-6-yl]oxyethyl]pyrrolidin-3-ol
PubChem CID141446519
Molecular FormulaC21H22FN3O3
Molecular Weight383.42 g/mol
Exact Mass383.16
IUPAC Name(3S)-1-[2-[3-(3-fluorophenyl)-7-methoxyquinoxalin-6-yl]oxyethyl]pyrrolidin-3-ol
SMILESCOc1cc2ncc(-c3cccc(F)c3)nc2cc1OCCN1CC[C@H](O)C1
InChIInChI=1S/C21H22FN3O3/c1-27-20-10-17-18(11-21(20)28-8-7-25-6-5-16(26)13-25)24-19(12-23-17)14-3-2-4-15(22)9-14/h2-4,9-12,16,26H,5-8,13H2,1H3/t16-/m0/s1
InChIKeyISTBRONFJMXCAX-INIZCTEOSA-N
XLogP2.89
TPSA67.71 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.42
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3S)-1-[2-[3-(3-fluorophenyl)-7-methoxyquinoxalin-6-yl]oxyethyl]pyrrolidin-3-ol?
The IUPAC name of (3S)-1-[2-[3-(3-fluorophenyl)-7-methoxyquinoxalin-6-yl]oxyethyl]pyrrolidin-3-ol (CID 141446519) is (3S)-1-[2-[3-(3-fluorophenyl)-7-methoxyquinoxalin-6-yl]oxyethyl]pyrrolidin-3-ol.
What is the SMILES notation for (3S)-1-[2-[3-(3-fluorophenyl)-7-methoxyquinoxalin-6-yl]oxyethyl]pyrrolidin-3-ol?
The canonical SMILES for (3S)-1-[2-[3-(3-fluorophenyl)-7-methoxyquinoxalin-6-yl]oxyethyl]pyrrolidin-3-ol is COc1cc2ncc(-c3cccc(F)c3)nc2cc1OCCN1CC[C@H](O)C1.
What is the InChIKey of (3S)-1-[2-[3-(3-fluorophenyl)-7-methoxyquinoxalin-6-yl]oxyethyl]pyrrolidin-3-ol?
The InChIKey is ISTBRONFJMXCAX-INIZCTEOSA-N. The full InChI is InChI=1S/C21H22FN3O3/c1-27-20-10-17-18(11-21(20)28-8-7-25-6-5-16(26)13-25)24-19(12-23-17)14-3-2-4-15(22)9-14/h2-4,9-12,16,26H,5-8,13H2,1H3/t16-/m0/s1.
What are the key properties of (3S)-1-[2-[3-(3-fluorophenyl)-7-methoxyquinoxalin-6-yl]oxyethyl]pyrrolidin-3-ol?
(3S)-1-[2-[3-(3-fluorophenyl)-7-methoxyquinoxalin-6-yl]oxyethyl]pyrrolidin-3-ol has a molecular weight of 383.42 g/mol, XLogP of 2.89, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[2-[3-(3-fluorophenyl)-7-methoxyquinoxalin-6-yl]oxyethyl]pyrrolidin-3-ol is sourced from PubChem (CID 141446519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).