4-[3-[[8-(4-methoxyphenyl)-6-methyl-7,8-dihydro-5H-2,6-naphthyridin-3-yl]oxy]propyl]morpholine

C23H31N3O3 — CID 15983576

IUPAC4-[3-[[8-(4-methoxyphenyl)-6-methyl-7,8-dihydro-5H-2,6-naphthyridin-3-yl]oxy]propyl]morpholine
SMILESCOc1ccc(C2CN(C)Cc3cc(OCCCN4CCOCC4)ncc32)cc1
InChIInChI=1S/C23H31N3O3/c1-25-16-19-14-23(29-11-3-8-26-9-12-28-13-10-26)24-15-21(19)22(17-25)18-4-6-20(27-2)7-5-18/h4-7,14-15,22H,3,8-13,16-17H2,1-2H3
InChIKeyXTZKOGDXCXHQKA-UHFFFAOYSA-N
MW397.52 g/mol
LogP2.77
Rot. Bonds7

About 4-[3-[[8-(4-methoxyphenyl)-6-methyl-7,8-dihydro-5H-2,6-naphthyridin-3-yl]oxy]propyl]morpholine

4-[3-[[8-(4-methoxyphenyl)-6-methyl-7,8-dihydro-5H-2,6-naphthyridin-3-yl]oxy]propyl]morpholine (PubChem CID 15983576) has the molecular formula C23H31N3O3 and a molecular weight of 397.52 g/mol. Its IUPAC name is 4-[3-[[8-(4-methoxyphenyl)-6-methyl-7,8-dihydro-5H-2,6-naphthyridin-3-yl]oxy]propyl]morpholine.

Molecular Properties

Compound Name4-[3-[[8-(4-methoxyphenyl)-6-methyl-7,8-dihydro-5H-2,6-naphthyridin-3-yl]oxy]propyl]morpholine
PubChem CID15983576
Molecular FormulaC23H31N3O3
Molecular Weight397.52 g/mol
Exact Mass397.24
IUPAC Name4-[3-[[8-(4-methoxyphenyl)-6-methyl-7,8-dihydro-5H-2,6-naphthyridin-3-yl]oxy]propyl]morpholine
SMILESCOc1ccc(C2CN(C)Cc3cc(OCCCN4CCOCC4)ncc32)cc1
InChIInChI=1S/C23H31N3O3/c1-25-16-19-14-23(29-11-3-8-26-9-12-28-13-10-26)24-15-21(19)22(17-25)18-4-6-20(27-2)7-5-18/h4-7,14-15,22H,3,8-13,16-17H2,1-2H3
InChIKeyXTZKOGDXCXHQKA-UHFFFAOYSA-N
XLogP2.77
TPSA47.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.52
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[3-[[8-(4-methoxyphenyl)-6-methyl-7,8-dihydro-5H-2,6-naphthyridin-3-yl]oxy]propyl]morpholine?
The IUPAC name of 4-[3-[[8-(4-methoxyphenyl)-6-methyl-7,8-dihydro-5H-2,6-naphthyridin-3-yl]oxy]propyl]morpholine (CID 15983576) is 4-[3-[[8-(4-methoxyphenyl)-6-methyl-7,8-dihydro-5H-2,6-naphthyridin-3-yl]oxy]propyl]morpholine.
What is the SMILES notation for 4-[3-[[8-(4-methoxyphenyl)-6-methyl-7,8-dihydro-5H-2,6-naphthyridin-3-yl]oxy]propyl]morpholine?
The canonical SMILES for 4-[3-[[8-(4-methoxyphenyl)-6-methyl-7,8-dihydro-5H-2,6-naphthyridin-3-yl]oxy]propyl]morpholine is COc1ccc(C2CN(C)Cc3cc(OCCCN4CCOCC4)ncc32)cc1.
What is the InChIKey of 4-[3-[[8-(4-methoxyphenyl)-6-methyl-7,8-dihydro-5H-2,6-naphthyridin-3-yl]oxy]propyl]morpholine?
The InChIKey is XTZKOGDXCXHQKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O3/c1-25-16-19-14-23(29-11-3-8-26-9-12-28-13-10-26)24-15-21(19)22(17-25)18-4-6-20(27-2)7-5-18/h4-7,14-15,22H,3,8-13,16-17H2,1-2H3.
What are the key properties of 4-[3-[[8-(4-methoxyphenyl)-6-methyl-7,8-dihydro-5H-2,6-naphthyridin-3-yl]oxy]propyl]morpholine?
4-[3-[[8-(4-methoxyphenyl)-6-methyl-7,8-dihydro-5H-2,6-naphthyridin-3-yl]oxy]propyl]morpholine has a molecular weight of 397.52 g/mol, XLogP of 2.77, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[[8-(4-methoxyphenyl)-6-methyl-7,8-dihydro-5H-2,6-naphthyridin-3-yl]oxy]propyl]morpholine is sourced from PubChem (CID 15983576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).