2-(4-chlorophenoxy)-3-pyrrolidin-1-ylquinoxaline

C18H16ClN3O — CID 50764083

IUPAC2-(4-chlorophenoxy)-3-pyrrolidin-1-ylquinoxaline
SMILESClc1ccc(Oc2nc3ccccc3nc2N2CCCC2)cc1
InChIInChI=1S/C18H16ClN3O/c19-13-7-9-14(10-8-13)23-18-17(22-11-3-4-12-22)20-15-5-1-2-6-16(15)21-18/h1-2,5-10H,3-4,11-12H2
InChIKeyCHULJOMYZBAHSZ-UHFFFAOYSA-N
MW325.80 g/mol
LogP4.68
Rot. Bonds3

About 2-(4-chlorophenoxy)-3-pyrrolidin-1-ylquinoxaline

2-(4-chlorophenoxy)-3-pyrrolidin-1-ylquinoxaline (PubChem CID 50764083) has the molecular formula C18H16ClN3O and a molecular weight of 325.80 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-3-pyrrolidin-1-ylquinoxaline.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-3-pyrrolidin-1-ylquinoxaline
PubChem CID50764083
Molecular FormulaC18H16ClN3O
Molecular Weight325.80 g/mol
Exact Mass325.10
IUPAC Name2-(4-chlorophenoxy)-3-pyrrolidin-1-ylquinoxaline
SMILESClc1ccc(Oc2nc3ccccc3nc2N2CCCC2)cc1
InChIInChI=1S/C18H16ClN3O/c19-13-7-9-14(10-8-13)23-18-17(22-11-3-4-12-22)20-15-5-1-2-6-16(15)21-18/h1-2,5-10H,3-4,11-12H2
InChIKeyCHULJOMYZBAHSZ-UHFFFAOYSA-N
XLogP4.68
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.80
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-3-pyrrolidin-1-ylquinoxaline?
The IUPAC name of 2-(4-chlorophenoxy)-3-pyrrolidin-1-ylquinoxaline (CID 50764083) is 2-(4-chlorophenoxy)-3-pyrrolidin-1-ylquinoxaline.
What is the SMILES notation for 2-(4-chlorophenoxy)-3-pyrrolidin-1-ylquinoxaline?
The canonical SMILES for 2-(4-chlorophenoxy)-3-pyrrolidin-1-ylquinoxaline is Clc1ccc(Oc2nc3ccccc3nc2N2CCCC2)cc1.
What is the InChIKey of 2-(4-chlorophenoxy)-3-pyrrolidin-1-ylquinoxaline?
The InChIKey is CHULJOMYZBAHSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3O/c19-13-7-9-14(10-8-13)23-18-17(22-11-3-4-12-22)20-15-5-1-2-6-16(15)21-18/h1-2,5-10H,3-4,11-12H2.
What are the key properties of 2-(4-chlorophenoxy)-3-pyrrolidin-1-ylquinoxaline?
2-(4-chlorophenoxy)-3-pyrrolidin-1-ylquinoxaline has a molecular weight of 325.80 g/mol, XLogP of 4.68, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-3-pyrrolidin-1-ylquinoxaline is sourced from PubChem (CID 50764083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).