4-(2-chlorophenyl)-7-(3-piperidin-1-ylpropoxy)-1,2,3,4-tetrahydro-2,6-naphthyridine

C22H28ClN3O — CID 15983836

IUPAC4-(2-chlorophenyl)-7-(3-piperidin-1-ylpropoxy)-1,2,3,4-tetrahydro-2,6-naphthyridine
SMILESClc1ccccc1C1CNCc2cc(OCCCN3CCCCC3)ncc21
InChIInChI=1S/C22H28ClN3O/c23-21-8-3-2-7-18(21)20-15-24-14-17-13-22(25-16-19(17)20)27-12-6-11-26-9-4-1-5-10-26/h2-3,7-8,13,16,20,24H,1,4-6,9-12,14-15H2
InChIKeyKIFGUYTXOHEXTE-UHFFFAOYSA-N
MW385.94 g/mol
LogP4.22
Rot. Bonds6

About 4-(2-chlorophenyl)-7-(3-piperidin-1-ylpropoxy)-1,2,3,4-tetrahydro-2,6-naphthyridine

4-(2-chlorophenyl)-7-(3-piperidin-1-ylpropoxy)-1,2,3,4-tetrahydro-2,6-naphthyridine (PubChem CID 15983836) has the molecular formula C22H28ClN3O and a molecular weight of 385.94 g/mol. Its IUPAC name is 4-(2-chlorophenyl)-7-(3-piperidin-1-ylpropoxy)-1,2,3,4-tetrahydro-2,6-naphthyridine.

Molecular Properties

Compound Name4-(2-chlorophenyl)-7-(3-piperidin-1-ylpropoxy)-1,2,3,4-tetrahydro-2,6-naphthyridine
PubChem CID15983836
Molecular FormulaC22H28ClN3O
Molecular Weight385.94 g/mol
Exact Mass385.19
IUPAC Name4-(2-chlorophenyl)-7-(3-piperidin-1-ylpropoxy)-1,2,3,4-tetrahydro-2,6-naphthyridine
SMILESClc1ccccc1C1CNCc2cc(OCCCN3CCCCC3)ncc21
InChIInChI=1S/C22H28ClN3O/c23-21-8-3-2-7-18(21)20-15-24-14-17-13-22(25-16-19(17)20)27-12-6-11-26-9-4-1-5-10-26/h2-3,7-8,13,16,20,24H,1,4-6,9-12,14-15H2
InChIKeyKIFGUYTXOHEXTE-UHFFFAOYSA-N
XLogP4.22
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.94
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-(2-chlorophenyl)-7-(3-piperidin-1-ylpropoxy)-1,2,3,4-tetrahydro-2,6-naphthyridine?
The IUPAC name of 4-(2-chlorophenyl)-7-(3-piperidin-1-ylpropoxy)-1,2,3,4-tetrahydro-2,6-naphthyridine (CID 15983836) is 4-(2-chlorophenyl)-7-(3-piperidin-1-ylpropoxy)-1,2,3,4-tetrahydro-2,6-naphthyridine.
What is the SMILES notation for 4-(2-chlorophenyl)-7-(3-piperidin-1-ylpropoxy)-1,2,3,4-tetrahydro-2,6-naphthyridine?
The canonical SMILES for 4-(2-chlorophenyl)-7-(3-piperidin-1-ylpropoxy)-1,2,3,4-tetrahydro-2,6-naphthyridine is Clc1ccccc1C1CNCc2cc(OCCCN3CCCCC3)ncc21.
What is the InChIKey of 4-(2-chlorophenyl)-7-(3-piperidin-1-ylpropoxy)-1,2,3,4-tetrahydro-2,6-naphthyridine?
The InChIKey is KIFGUYTXOHEXTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28ClN3O/c23-21-8-3-2-7-18(21)20-15-24-14-17-13-22(25-16-19(17)20)27-12-6-11-26-9-4-1-5-10-26/h2-3,7-8,13,16,20,24H,1,4-6,9-12,14-15H2.
What are the key properties of 4-(2-chlorophenyl)-7-(3-piperidin-1-ylpropoxy)-1,2,3,4-tetrahydro-2,6-naphthyridine?
4-(2-chlorophenyl)-7-(3-piperidin-1-ylpropoxy)-1,2,3,4-tetrahydro-2,6-naphthyridine has a molecular weight of 385.94 g/mol, XLogP of 4.22, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chlorophenyl)-7-(3-piperidin-1-ylpropoxy)-1,2,3,4-tetrahydro-2,6-naphthyridine is sourced from PubChem (CID 15983836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).