4-[3-[4-(quinolin-2-ylmethoxy)phenyl]-2-pyridinyl]morpholine

C25H23N3O2 — CID 71455564

IUPAC4-[3-[4-(quinolin-2-ylmethoxy)phenyl]-2-pyridinyl]morpholine
SMILESc1cnc(N2CCOCC2)c(-c2ccc(OCc3ccc4ccccc4n3)cc2)c1
InChIInChI=1S/C25H23N3O2/c1-2-6-24-20(4-1)7-10-21(27-24)18-30-22-11-8-19(9-12-22)23-5-3-13-26-25(23)28-14-16-29-17-15-28/h1-13H,14-18H2
InChIKeyFULAVNOHBFJANS-UHFFFAOYSA-N
MW397.48 g/mol
LogP4.71
Rot. Bonds5

About 4-[3-[4-(quinolin-2-ylmethoxy)phenyl]-2-pyridinyl]morpholine

4-[3-[4-(quinolin-2-ylmethoxy)phenyl]-2-pyridinyl]morpholine (PubChem CID 71455564) has the molecular formula C25H23N3O2 and a molecular weight of 397.48 g/mol. Its IUPAC name is 4-[3-[4-(quinolin-2-ylmethoxy)phenyl]-2-pyridinyl]morpholine.

Molecular Properties

Compound Name4-[3-[4-(quinolin-2-ylmethoxy)phenyl]-2-pyridinyl]morpholine
PubChem CID71455564
Molecular FormulaC25H23N3O2
Molecular Weight397.48 g/mol
Exact Mass397.18
IUPAC Name4-[3-[4-(quinolin-2-ylmethoxy)phenyl]-2-pyridinyl]morpholine
SMILESc1cnc(N2CCOCC2)c(-c2ccc(OCc3ccc4ccccc4n3)cc2)c1
InChIInChI=1S/C25H23N3O2/c1-2-6-24-20(4-1)7-10-21(27-24)18-30-22-11-8-19(9-12-22)23-5-3-13-26-25(23)28-14-16-29-17-15-28/h1-13H,14-18H2
InChIKeyFULAVNOHBFJANS-UHFFFAOYSA-N
XLogP4.71
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[3-[4-(quinolin-2-ylmethoxy)phenyl]-2-pyridinyl]morpholine?
The IUPAC name of 4-[3-[4-(quinolin-2-ylmethoxy)phenyl]-2-pyridinyl]morpholine (CID 71455564) is 4-[3-[4-(quinolin-2-ylmethoxy)phenyl]-2-pyridinyl]morpholine.
What is the SMILES notation for 4-[3-[4-(quinolin-2-ylmethoxy)phenyl]-2-pyridinyl]morpholine?
The canonical SMILES for 4-[3-[4-(quinolin-2-ylmethoxy)phenyl]-2-pyridinyl]morpholine is c1cnc(N2CCOCC2)c(-c2ccc(OCc3ccc4ccccc4n3)cc2)c1.
What is the InChIKey of 4-[3-[4-(quinolin-2-ylmethoxy)phenyl]-2-pyridinyl]morpholine?
The InChIKey is FULAVNOHBFJANS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O2/c1-2-6-24-20(4-1)7-10-21(27-24)18-30-22-11-8-19(9-12-22)23-5-3-13-26-25(23)28-14-16-29-17-15-28/h1-13H,14-18H2.
What are the key properties of 4-[3-[4-(quinolin-2-ylmethoxy)phenyl]-2-pyridinyl]morpholine?
4-[3-[4-(quinolin-2-ylmethoxy)phenyl]-2-pyridinyl]morpholine has a molecular weight of 397.48 g/mol, XLogP of 4.71, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[4-(quinolin-2-ylmethoxy)phenyl]-2-pyridinyl]morpholine is sourced from PubChem (CID 71455564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).