4-[2-[4-[4-(2,4-difluorophenyl)-1,7-naphthyridin-8-yl]-3-methylphenoxy]ethyl]morpholine

C27H25F2N3O2 — CID 24899474

IUPAC4-[2-[4-[4-(2,4-difluorophenyl)-1,7-naphthyridin-8-yl]-3-methylphenoxy]ethyl]morpholine
SMILESCc1cc(OCCN2CCOCC2)ccc1-c1nccc2c(-c3ccc(F)cc3F)ccnc12
InChIInChI=1S/C27H25F2N3O2/c1-18-16-20(34-15-12-32-10-13-33-14-11-32)3-5-21(18)26-27-24(7-9-30-26)22(6-8-31-27)23-4-2-19(28)17-25(23)29/h2-9,16-17H,10-15H2,1H3
InChIKeyHRPVLLLFNHDUTG-UHFFFAOYSA-N
MW461.51 g/mol
LogP5.26
Rot. Bonds6

About 4-[2-[4-[4-(2,4-difluorophenyl)-1,7-naphthyridin-8-yl]-3-methylphenoxy]ethyl]morpholine

4-[2-[4-[4-(2,4-difluorophenyl)-1,7-naphthyridin-8-yl]-3-methylphenoxy]ethyl]morpholine (PubChem CID 24899474) has the molecular formula C27H25F2N3O2 and a molecular weight of 461.51 g/mol. Its IUPAC name is 4-[2-[4-[4-(2,4-difluorophenyl)-1,7-naphthyridin-8-yl]-3-methylphenoxy]ethyl]morpholine.

Molecular Properties

Compound Name4-[2-[4-[4-(2,4-difluorophenyl)-1,7-naphthyridin-8-yl]-3-methylphenoxy]ethyl]morpholine
PubChem CID24899474
Molecular FormulaC27H25F2N3O2
Molecular Weight461.51 g/mol
Exact Mass461.19
IUPAC Name4-[2-[4-[4-(2,4-difluorophenyl)-1,7-naphthyridin-8-yl]-3-methylphenoxy]ethyl]morpholine
SMILESCc1cc(OCCN2CCOCC2)ccc1-c1nccc2c(-c3ccc(F)cc3F)ccnc12
InChIInChI=1S/C27H25F2N3O2/c1-18-16-20(34-15-12-32-10-13-33-14-11-32)3-5-21(18)26-27-24(7-9-30-26)22(6-8-31-27)23-4-2-19(28)17-25(23)29/h2-9,16-17H,10-15H2,1H3
InChIKeyHRPVLLLFNHDUTG-UHFFFAOYSA-N
XLogP5.26
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.51
LogP ≤ 55.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-[4-(2,4-difluorophenyl)-1,7-naphthyridin-8-yl]-3-methylphenoxy]ethyl]morpholine?
The IUPAC name of 4-[2-[4-[4-(2,4-difluorophenyl)-1,7-naphthyridin-8-yl]-3-methylphenoxy]ethyl]morpholine (CID 24899474) is 4-[2-[4-[4-(2,4-difluorophenyl)-1,7-naphthyridin-8-yl]-3-methylphenoxy]ethyl]morpholine.
What is the SMILES notation for 4-[2-[4-[4-(2,4-difluorophenyl)-1,7-naphthyridin-8-yl]-3-methylphenoxy]ethyl]morpholine?
The canonical SMILES for 4-[2-[4-[4-(2,4-difluorophenyl)-1,7-naphthyridin-8-yl]-3-methylphenoxy]ethyl]morpholine is Cc1cc(OCCN2CCOCC2)ccc1-c1nccc2c(-c3ccc(F)cc3F)ccnc12.
What is the InChIKey of 4-[2-[4-[4-(2,4-difluorophenyl)-1,7-naphthyridin-8-yl]-3-methylphenoxy]ethyl]morpholine?
The InChIKey is HRPVLLLFNHDUTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25F2N3O2/c1-18-16-20(34-15-12-32-10-13-33-14-11-32)3-5-21(18)26-27-24(7-9-30-26)22(6-8-31-27)23-4-2-19(28)17-25(23)29/h2-9,16-17H,10-15H2,1H3.
What are the key properties of 4-[2-[4-[4-(2,4-difluorophenyl)-1,7-naphthyridin-8-yl]-3-methylphenoxy]ethyl]morpholine?
4-[2-[4-[4-(2,4-difluorophenyl)-1,7-naphthyridin-8-yl]-3-methylphenoxy]ethyl]morpholine has a molecular weight of 461.51 g/mol, XLogP of 5.26, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-[4-(2,4-difluorophenyl)-1,7-naphthyridin-8-yl]-3-methylphenoxy]ethyl]morpholine is sourced from PubChem (CID 24899474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).