2-[3-methoxy-4-(pyrrolidin-1-ylmethyl)phenoxy]quinoxaline

C20H21N3O2 — CID 56712812

IUPAC2-[3-methoxy-4-(pyrrolidin-1-ylmethyl)phenoxy]quinoxaline
SMILESCOc1cc(Oc2cnc3ccccc3n2)ccc1CN1CCCC1
InChIInChI=1S/C20H21N3O2/c1-24-19-12-16(9-8-15(19)14-23-10-4-5-11-23)25-20-13-21-17-6-2-3-7-18(17)22-20/h2-3,6-9,12-13H,4-5,10-11,14H2,1H3
InChIKeyGXTVEDNHYSUSEO-UHFFFAOYSA-N
MW335.41 g/mol
LogP4.03
Rot. Bonds5

About 2-[3-methoxy-4-(pyrrolidin-1-ylmethyl)phenoxy]quinoxaline

2-[3-methoxy-4-(pyrrolidin-1-ylmethyl)phenoxy]quinoxaline (PubChem CID 56712812) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is 2-[3-methoxy-4-(pyrrolidin-1-ylmethyl)phenoxy]quinoxaline.

Molecular Properties

Compound Name2-[3-methoxy-4-(pyrrolidin-1-ylmethyl)phenoxy]quinoxaline
PubChem CID56712812
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC Name2-[3-methoxy-4-(pyrrolidin-1-ylmethyl)phenoxy]quinoxaline
SMILESCOc1cc(Oc2cnc3ccccc3n2)ccc1CN1CCCC1
InChIInChI=1S/C20H21N3O2/c1-24-19-12-16(9-8-15(19)14-23-10-4-5-11-23)25-20-13-21-17-6-2-3-7-18(17)22-20/h2-3,6-9,12-13H,4-5,10-11,14H2,1H3
InChIKeyGXTVEDNHYSUSEO-UHFFFAOYSA-N
XLogP4.03
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-methoxy-4-(pyrrolidin-1-ylmethyl)phenoxy]quinoxaline?
The IUPAC name of 2-[3-methoxy-4-(pyrrolidin-1-ylmethyl)phenoxy]quinoxaline (CID 56712812) is 2-[3-methoxy-4-(pyrrolidin-1-ylmethyl)phenoxy]quinoxaline.
What is the SMILES notation for 2-[3-methoxy-4-(pyrrolidin-1-ylmethyl)phenoxy]quinoxaline?
The canonical SMILES for 2-[3-methoxy-4-(pyrrolidin-1-ylmethyl)phenoxy]quinoxaline is COc1cc(Oc2cnc3ccccc3n2)ccc1CN1CCCC1.
What is the InChIKey of 2-[3-methoxy-4-(pyrrolidin-1-ylmethyl)phenoxy]quinoxaline?
The InChIKey is GXTVEDNHYSUSEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2/c1-24-19-12-16(9-8-15(19)14-23-10-4-5-11-23)25-20-13-21-17-6-2-3-7-18(17)22-20/h2-3,6-9,12-13H,4-5,10-11,14H2,1H3.
What are the key properties of 2-[3-methoxy-4-(pyrrolidin-1-ylmethyl)phenoxy]quinoxaline?
2-[3-methoxy-4-(pyrrolidin-1-ylmethyl)phenoxy]quinoxaline has a molecular weight of 335.41 g/mol, XLogP of 4.03, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-methoxy-4-(pyrrolidin-1-ylmethyl)phenoxy]quinoxaline is sourced from PubChem (CID 56712812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).