4-[3-(4-fluorophenyl)-3-quinolin-8-yloxypropyl]morpholine

C22H23FN2O2 — CID 42867773

IUPAC4-[3-(4-fluorophenyl)-3-quinolin-8-yloxypropyl]morpholine
SMILESFc1ccc(C(CCN2CCOCC2)Oc2cccc3cccnc23)cc1
InChIInChI=1S/C22H23FN2O2/c23-19-8-6-17(7-9-19)20(10-12-25-13-15-26-16-14-25)27-21-5-1-3-18-4-2-11-24-22(18)21/h1-9,11,20H,10,12-16H2
InChIKeyKPAKDWPRCLCJQJ-UHFFFAOYSA-N
MW366.44 g/mol
LogP4.22
Rot. Bonds6

About 4-[3-(4-fluorophenyl)-3-quinolin-8-yloxypropyl]morpholine

4-[3-(4-fluorophenyl)-3-quinolin-8-yloxypropyl]morpholine (PubChem CID 42867773) has the molecular formula C22H23FN2O2 and a molecular weight of 366.44 g/mol. Its IUPAC name is 4-[3-(4-fluorophenyl)-3-quinolin-8-yloxypropyl]morpholine.

Molecular Properties

Compound Name4-[3-(4-fluorophenyl)-3-quinolin-8-yloxypropyl]morpholine
PubChem CID42867773
Molecular FormulaC22H23FN2O2
Molecular Weight366.44 g/mol
Exact Mass366.17
IUPAC Name4-[3-(4-fluorophenyl)-3-quinolin-8-yloxypropyl]morpholine
SMILESFc1ccc(C(CCN2CCOCC2)Oc2cccc3cccnc23)cc1
InChIInChI=1S/C22H23FN2O2/c23-19-8-6-17(7-9-19)20(10-12-25-13-15-26-16-14-25)27-21-5-1-3-18-4-2-11-24-22(18)21/h1-9,11,20H,10,12-16H2
InChIKeyKPAKDWPRCLCJQJ-UHFFFAOYSA-N
XLogP4.22
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.44
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-fluorophenyl)-3-quinolin-8-yloxypropyl]morpholine?
The IUPAC name of 4-[3-(4-fluorophenyl)-3-quinolin-8-yloxypropyl]morpholine (CID 42867773) is 4-[3-(4-fluorophenyl)-3-quinolin-8-yloxypropyl]morpholine.
What is the SMILES notation for 4-[3-(4-fluorophenyl)-3-quinolin-8-yloxypropyl]morpholine?
The canonical SMILES for 4-[3-(4-fluorophenyl)-3-quinolin-8-yloxypropyl]morpholine is Fc1ccc(C(CCN2CCOCC2)Oc2cccc3cccnc23)cc1.
What is the InChIKey of 4-[3-(4-fluorophenyl)-3-quinolin-8-yloxypropyl]morpholine?
The InChIKey is KPAKDWPRCLCJQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN2O2/c23-19-8-6-17(7-9-19)20(10-12-25-13-15-26-16-14-25)27-21-5-1-3-18-4-2-11-24-22(18)21/h1-9,11,20H,10,12-16H2.
What are the key properties of 4-[3-(4-fluorophenyl)-3-quinolin-8-yloxypropyl]morpholine?
4-[3-(4-fluorophenyl)-3-quinolin-8-yloxypropyl]morpholine has a molecular weight of 366.44 g/mol, XLogP of 4.22, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-fluorophenyl)-3-quinolin-8-yloxypropyl]morpholine is sourced from PubChem (CID 42867773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).