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

C22H29N3O3 — CID 15983575

IUPAC4-[3-[[8-(4-methoxyphenyl)-5,6,7,8-tetrahydro-2,6-naphthyridin-3-yl]oxy]propyl]morpholine
SMILESCOc1ccc(C2CNCc3cc(OCCCN4CCOCC4)ncc32)cc1
InChIInChI=1S/C22H29N3O3/c1-26-19-5-3-17(4-6-19)20-15-23-14-18-13-22(24-16-21(18)20)28-10-2-7-25-8-11-27-12-9-25/h3-6,13,16,20,23H,2,7-12,14-15H2,1H3
InChIKeyINWLSQYDDFJBQN-UHFFFAOYSA-N
MW383.49 g/mol
LogP2.43
Rot. Bonds7

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

4-[3-[[8-(4-methoxyphenyl)-5,6,7,8-tetrahydro-2,6-naphthyridin-3-yl]oxy]propyl]morpholine (PubChem CID 15983575) has the molecular formula C22H29N3O3 and a molecular weight of 383.49 g/mol. Its IUPAC name is 4-[3-[[8-(4-methoxyphenyl)-5,6,7,8-tetrahydro-2,6-naphthyridin-3-yl]oxy]propyl]morpholine.

Molecular Properties

Compound Name4-[3-[[8-(4-methoxyphenyl)-5,6,7,8-tetrahydro-2,6-naphthyridin-3-yl]oxy]propyl]morpholine
PubChem CID15983575
Molecular FormulaC22H29N3O3
Molecular Weight383.49 g/mol
Exact Mass383.22
IUPAC Name4-[3-[[8-(4-methoxyphenyl)-5,6,7,8-tetrahydro-2,6-naphthyridin-3-yl]oxy]propyl]morpholine
SMILESCOc1ccc(C2CNCc3cc(OCCCN4CCOCC4)ncc32)cc1
InChIInChI=1S/C22H29N3O3/c1-26-19-5-3-17(4-6-19)20-15-23-14-18-13-22(24-16-21(18)20)28-10-2-7-25-8-11-27-12-9-25/h3-6,13,16,20,23H,2,7-12,14-15H2,1H3
InChIKeyINWLSQYDDFJBQN-UHFFFAOYSA-N
XLogP2.43
TPSA55.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.49
LogP ≤ 52.43
H-Bond Donors ≤ 51
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)-5,6,7,8-tetrahydro-2,6-naphthyridin-3-yl]oxy]propyl]morpholine?
The IUPAC name of 4-[3-[[8-(4-methoxyphenyl)-5,6,7,8-tetrahydro-2,6-naphthyridin-3-yl]oxy]propyl]morpholine (CID 15983575) is 4-[3-[[8-(4-methoxyphenyl)-5,6,7,8-tetrahydro-2,6-naphthyridin-3-yl]oxy]propyl]morpholine.
What is the SMILES notation for 4-[3-[[8-(4-methoxyphenyl)-5,6,7,8-tetrahydro-2,6-naphthyridin-3-yl]oxy]propyl]morpholine?
The canonical SMILES for 4-[3-[[8-(4-methoxyphenyl)-5,6,7,8-tetrahydro-2,6-naphthyridin-3-yl]oxy]propyl]morpholine is COc1ccc(C2CNCc3cc(OCCCN4CCOCC4)ncc32)cc1.
What is the InChIKey of 4-[3-[[8-(4-methoxyphenyl)-5,6,7,8-tetrahydro-2,6-naphthyridin-3-yl]oxy]propyl]morpholine?
The InChIKey is INWLSQYDDFJBQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O3/c1-26-19-5-3-17(4-6-19)20-15-23-14-18-13-22(24-16-21(18)20)28-10-2-7-25-8-11-27-12-9-25/h3-6,13,16,20,23H,2,7-12,14-15H2,1H3.
What are the key properties of 4-[3-[[8-(4-methoxyphenyl)-5,6,7,8-tetrahydro-2,6-naphthyridin-3-yl]oxy]propyl]morpholine?
4-[3-[[8-(4-methoxyphenyl)-5,6,7,8-tetrahydro-2,6-naphthyridin-3-yl]oxy]propyl]morpholine has a molecular weight of 383.49 g/mol, XLogP of 2.43, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[[8-(4-methoxyphenyl)-5,6,7,8-tetrahydro-2,6-naphthyridin-3-yl]oxy]propyl]morpholine is sourced from PubChem (CID 15983575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).