4-[4-(3-chloro-5-methoxyphenoxy)-2-pyridinyl]morpholine

C16H17ClN2O3 — CID 71451895

IUPAC4-[4-(3-chloro-5-methoxyphenoxy)-2-pyridinyl]morpholine
SMILESCOc1cc(Cl)cc(Oc2ccnc(N3CCOCC3)c2)c1
InChIInChI=1S/C16H17ClN2O3/c1-20-14-8-12(17)9-15(10-14)22-13-2-3-18-16(11-13)19-4-6-21-7-5-19/h2-3,8-11H,4-7H2,1H3
InChIKeyNKSJKIJNWTWQTQ-UHFFFAOYSA-N
MW320.78 g/mol
LogP3.37
Rot. Bonds4

About 4-[4-(3-chloro-5-methoxyphenoxy)-2-pyridinyl]morpholine

4-[4-(3-chloro-5-methoxyphenoxy)-2-pyridinyl]morpholine (PubChem CID 71451895) has the molecular formula C16H17ClN2O3 and a molecular weight of 320.78 g/mol. Its IUPAC name is 4-[4-(3-chloro-5-methoxyphenoxy)-2-pyridinyl]morpholine.

Molecular Properties

Compound Name4-[4-(3-chloro-5-methoxyphenoxy)-2-pyridinyl]morpholine
PubChem CID71451895
Molecular FormulaC16H17ClN2O3
Molecular Weight320.78 g/mol
Exact Mass320.09
IUPAC Name4-[4-(3-chloro-5-methoxyphenoxy)-2-pyridinyl]morpholine
SMILESCOc1cc(Cl)cc(Oc2ccnc(N3CCOCC3)c2)c1
InChIInChI=1S/C16H17ClN2O3/c1-20-14-8-12(17)9-15(10-14)22-13-2-3-18-16(11-13)19-4-6-21-7-5-19/h2-3,8-11H,4-7H2,1H3
InChIKeyNKSJKIJNWTWQTQ-UHFFFAOYSA-N
XLogP3.37
TPSA43.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.78
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(3-chloro-5-methoxyphenoxy)-2-pyridinyl]morpholine?
The IUPAC name of 4-[4-(3-chloro-5-methoxyphenoxy)-2-pyridinyl]morpholine (CID 71451895) is 4-[4-(3-chloro-5-methoxyphenoxy)-2-pyridinyl]morpholine.
What is the SMILES notation for 4-[4-(3-chloro-5-methoxyphenoxy)-2-pyridinyl]morpholine?
The canonical SMILES for 4-[4-(3-chloro-5-methoxyphenoxy)-2-pyridinyl]morpholine is COc1cc(Cl)cc(Oc2ccnc(N3CCOCC3)c2)c1.
What is the InChIKey of 4-[4-(3-chloro-5-methoxyphenoxy)-2-pyridinyl]morpholine?
The InChIKey is NKSJKIJNWTWQTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O3/c1-20-14-8-12(17)9-15(10-14)22-13-2-3-18-16(11-13)19-4-6-21-7-5-19/h2-3,8-11H,4-7H2,1H3.
What are the key properties of 4-[4-(3-chloro-5-methoxyphenoxy)-2-pyridinyl]morpholine?
4-[4-(3-chloro-5-methoxyphenoxy)-2-pyridinyl]morpholine has a molecular weight of 320.78 g/mol, XLogP of 3.37, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(3-chloro-5-methoxyphenoxy)-2-pyridinyl]morpholine is sourced from PubChem (CID 71451895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).