4-(3-methoxyphenyl)-2-methyl-7-(3-piperidin-1-ylpropoxy)-3,4-dihydro-1H-2,6-naphthyridine

C24H33N3O2 — CID 15983578

IUPAC4-(3-methoxyphenyl)-2-methyl-7-(3-piperidin-1-ylpropoxy)-3,4-dihydro-1H-2,6-naphthyridine
SMILESCOc1cccc(C2CN(C)Cc3cc(OCCCN4CCCCC4)ncc32)c1
InChIInChI=1S/C24H33N3O2/c1-26-17-20-15-24(29-13-7-12-27-10-4-3-5-11-27)25-16-22(20)23(18-26)19-8-6-9-21(14-19)28-2/h6,8-9,14-16,23H,3-5,7,10-13,17-18H2,1-2H3
InChIKeyFINNTOGAVZWNGL-UHFFFAOYSA-N
MW395.55 g/mol
LogP3.92
Rot. Bonds7

About 4-(3-methoxyphenyl)-2-methyl-7-(3-piperidin-1-ylpropoxy)-3,4-dihydro-1H-2,6-naphthyridine

4-(3-methoxyphenyl)-2-methyl-7-(3-piperidin-1-ylpropoxy)-3,4-dihydro-1H-2,6-naphthyridine (PubChem CID 15983578) has the molecular formula C24H33N3O2 and a molecular weight of 395.55 g/mol. Its IUPAC name is 4-(3-methoxyphenyl)-2-methyl-7-(3-piperidin-1-ylpropoxy)-3,4-dihydro-1H-2,6-naphthyridine.

Molecular Properties

Compound Name4-(3-methoxyphenyl)-2-methyl-7-(3-piperidin-1-ylpropoxy)-3,4-dihydro-1H-2,6-naphthyridine
PubChem CID15983578
Molecular FormulaC24H33N3O2
Molecular Weight395.55 g/mol
Exact Mass395.26
IUPAC Name4-(3-methoxyphenyl)-2-methyl-7-(3-piperidin-1-ylpropoxy)-3,4-dihydro-1H-2,6-naphthyridine
SMILESCOc1cccc(C2CN(C)Cc3cc(OCCCN4CCCCC4)ncc32)c1
InChIInChI=1S/C24H33N3O2/c1-26-17-20-15-24(29-13-7-12-27-10-4-3-5-11-27)25-16-22(20)23(18-26)19-8-6-9-21(14-19)28-2/h6,8-9,14-16,23H,3-5,7,10-13,17-18H2,1-2H3
InChIKeyFINNTOGAVZWNGL-UHFFFAOYSA-N
XLogP3.92
TPSA37.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.55
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-methoxyphenyl)-2-methyl-7-(3-piperidin-1-ylpropoxy)-3,4-dihydro-1H-2,6-naphthyridine?
The IUPAC name of 4-(3-methoxyphenyl)-2-methyl-7-(3-piperidin-1-ylpropoxy)-3,4-dihydro-1H-2,6-naphthyridine (CID 15983578) is 4-(3-methoxyphenyl)-2-methyl-7-(3-piperidin-1-ylpropoxy)-3,4-dihydro-1H-2,6-naphthyridine.
What is the SMILES notation for 4-(3-methoxyphenyl)-2-methyl-7-(3-piperidin-1-ylpropoxy)-3,4-dihydro-1H-2,6-naphthyridine?
The canonical SMILES for 4-(3-methoxyphenyl)-2-methyl-7-(3-piperidin-1-ylpropoxy)-3,4-dihydro-1H-2,6-naphthyridine is COc1cccc(C2CN(C)Cc3cc(OCCCN4CCCCC4)ncc32)c1.
What is the InChIKey of 4-(3-methoxyphenyl)-2-methyl-7-(3-piperidin-1-ylpropoxy)-3,4-dihydro-1H-2,6-naphthyridine?
The InChIKey is FINNTOGAVZWNGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3O2/c1-26-17-20-15-24(29-13-7-12-27-10-4-3-5-11-27)25-16-22(20)23(18-26)19-8-6-9-21(14-19)28-2/h6,8-9,14-16,23H,3-5,7,10-13,17-18H2,1-2H3.
What are the key properties of 4-(3-methoxyphenyl)-2-methyl-7-(3-piperidin-1-ylpropoxy)-3,4-dihydro-1H-2,6-naphthyridine?
4-(3-methoxyphenyl)-2-methyl-7-(3-piperidin-1-ylpropoxy)-3,4-dihydro-1H-2,6-naphthyridine has a molecular weight of 395.55 g/mol, XLogP of 3.92, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methoxyphenyl)-2-methyl-7-(3-piperidin-1-ylpropoxy)-3,4-dihydro-1H-2,6-naphthyridine is sourced from PubChem (CID 15983578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).