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

C23H30ClN3O — CID 15983838

IUPAC4-(3-chlorophenyl)-2-methyl-7-(3-piperidin-1-ylpropoxy)-3,4-dihydro-1H-2,6-naphthyridine
SMILESCN1Cc2cc(OCCCN3CCCCC3)ncc2C(c2cccc(Cl)c2)C1
InChIInChI=1S/C23H30ClN3O/c1-26-16-19-14-23(28-12-6-11-27-9-3-2-4-10-27)25-15-21(19)22(17-26)18-7-5-8-20(24)13-18/h5,7-8,13-15,22H,2-4,6,9-12,16-17H2,1H3
InChIKeyGQEPEMYIRJCODM-UHFFFAOYSA-N
MW399.97 g/mol
LogP4.57
Rot. Bonds6

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

4-(3-chlorophenyl)-2-methyl-7-(3-piperidin-1-ylpropoxy)-3,4-dihydro-1H-2,6-naphthyridine (PubChem CID 15983838) has the molecular formula C23H30ClN3O and a molecular weight of 399.97 g/mol. Its IUPAC name is 4-(3-chlorophenyl)-2-methyl-7-(3-piperidin-1-ylpropoxy)-3,4-dihydro-1H-2,6-naphthyridine.

Molecular Properties

Compound Name4-(3-chlorophenyl)-2-methyl-7-(3-piperidin-1-ylpropoxy)-3,4-dihydro-1H-2,6-naphthyridine
PubChem CID15983838
Molecular FormulaC23H30ClN3O
Molecular Weight399.97 g/mol
Exact Mass399.21
IUPAC Name4-(3-chlorophenyl)-2-methyl-7-(3-piperidin-1-ylpropoxy)-3,4-dihydro-1H-2,6-naphthyridine
SMILESCN1Cc2cc(OCCCN3CCCCC3)ncc2C(c2cccc(Cl)c2)C1
InChIInChI=1S/C23H30ClN3O/c1-26-16-19-14-23(28-12-6-11-27-9-3-2-4-10-27)25-15-21(19)22(17-26)18-7-5-8-20(24)13-18/h5,7-8,13-15,22H,2-4,6,9-12,16-17H2,1H3
InChIKeyGQEPEMYIRJCODM-UHFFFAOYSA-N
XLogP4.57
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.97
LogP ≤ 54.57
H-Bond Donors ≤ 50
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-(3-chlorophenyl)-2-methyl-7-(3-piperidin-1-ylpropoxy)-3,4-dihydro-1H-2,6-naphthyridine?
The IUPAC name of 4-(3-chlorophenyl)-2-methyl-7-(3-piperidin-1-ylpropoxy)-3,4-dihydro-1H-2,6-naphthyridine (CID 15983838) is 4-(3-chlorophenyl)-2-methyl-7-(3-piperidin-1-ylpropoxy)-3,4-dihydro-1H-2,6-naphthyridine.
What is the SMILES notation for 4-(3-chlorophenyl)-2-methyl-7-(3-piperidin-1-ylpropoxy)-3,4-dihydro-1H-2,6-naphthyridine?
The canonical SMILES for 4-(3-chlorophenyl)-2-methyl-7-(3-piperidin-1-ylpropoxy)-3,4-dihydro-1H-2,6-naphthyridine is CN1Cc2cc(OCCCN3CCCCC3)ncc2C(c2cccc(Cl)c2)C1.
What is the InChIKey of 4-(3-chlorophenyl)-2-methyl-7-(3-piperidin-1-ylpropoxy)-3,4-dihydro-1H-2,6-naphthyridine?
The InChIKey is GQEPEMYIRJCODM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30ClN3O/c1-26-16-19-14-23(28-12-6-11-27-9-3-2-4-10-27)25-15-21(19)22(17-26)18-7-5-8-20(24)13-18/h5,7-8,13-15,22H,2-4,6,9-12,16-17H2,1H3.
What are the key properties of 4-(3-chlorophenyl)-2-methyl-7-(3-piperidin-1-ylpropoxy)-3,4-dihydro-1H-2,6-naphthyridine?
4-(3-chlorophenyl)-2-methyl-7-(3-piperidin-1-ylpropoxy)-3,4-dihydro-1H-2,6-naphthyridine has a molecular weight of 399.97 g/mol, XLogP of 4.57, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chlorophenyl)-2-methyl-7-(3-piperidin-1-ylpropoxy)-3,4-dihydro-1H-2,6-naphthyridine is sourced from PubChem (CID 15983838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).