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

C22H27Cl2N3O — CID 15983579

IUPAC4-(3,4-dichlorophenyl)-7-(3-piperidin-1-ylpropoxy)-1,2,3,4-tetrahydro-2,6-naphthyridine
SMILESClc1ccc(C2CNCc3cc(OCCCN4CCCCC4)ncc32)cc1Cl
InChIInChI=1S/C22H27Cl2N3O/c23-20-6-5-16(11-21(20)24)18-14-25-13-17-12-22(26-15-19(17)18)28-10-4-9-27-7-2-1-3-8-27/h5-6,11-12,15,18,25H,1-4,7-10,13-14H2
InChIKeyRTXNVJXREKUAHX-UHFFFAOYSA-N
MW420.38 g/mol
LogP4.88
Rot. Bonds6

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

4-(3,4-dichlorophenyl)-7-(3-piperidin-1-ylpropoxy)-1,2,3,4-tetrahydro-2,6-naphthyridine (PubChem CID 15983579) has the molecular formula C22H27Cl2N3O and a molecular weight of 420.38 g/mol. Its IUPAC name is 4-(3,4-dichlorophenyl)-7-(3-piperidin-1-ylpropoxy)-1,2,3,4-tetrahydro-2,6-naphthyridine.

Molecular Properties

Compound Name4-(3,4-dichlorophenyl)-7-(3-piperidin-1-ylpropoxy)-1,2,3,4-tetrahydro-2,6-naphthyridine
PubChem CID15983579
Molecular FormulaC22H27Cl2N3O
Molecular Weight420.38 g/mol
Exact Mass419.15
IUPAC Name4-(3,4-dichlorophenyl)-7-(3-piperidin-1-ylpropoxy)-1,2,3,4-tetrahydro-2,6-naphthyridine
SMILESClc1ccc(C2CNCc3cc(OCCCN4CCCCC4)ncc32)cc1Cl
InChIInChI=1S/C22H27Cl2N3O/c23-20-6-5-16(11-21(20)24)18-14-25-13-17-12-22(26-15-19(17)18)28-10-4-9-27-7-2-1-3-8-27/h5-6,11-12,15,18,25H,1-4,7-10,13-14H2
InChIKeyRTXNVJXREKUAHX-UHFFFAOYSA-N
XLogP4.88
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.38
LogP ≤ 54.88
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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Related Compounds

CID 15983456
CID 15983456
CID 15983457
CID 15983457
CID 15983836
CID 15983836
CID 514911
CID 514911
CID 25263326
CID 25263326
CID 25263330
CID 25263330
CID 25263336
CID 25263336
CID 25263337
CID 25263337
CID 25263338
CID 25263338
CID 25263339
CID 25263339
CID 134693742
CID 134693742
CID 155555548
CID 155555548

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dichlorophenyl)-7-(3-piperidin-1-ylpropoxy)-1,2,3,4-tetrahydro-2,6-naphthyridine?
The IUPAC name of 4-(3,4-dichlorophenyl)-7-(3-piperidin-1-ylpropoxy)-1,2,3,4-tetrahydro-2,6-naphthyridine (CID 15983579) is 4-(3,4-dichlorophenyl)-7-(3-piperidin-1-ylpropoxy)-1,2,3,4-tetrahydro-2,6-naphthyridine.
What is the SMILES notation for 4-(3,4-dichlorophenyl)-7-(3-piperidin-1-ylpropoxy)-1,2,3,4-tetrahydro-2,6-naphthyridine?
The canonical SMILES for 4-(3,4-dichlorophenyl)-7-(3-piperidin-1-ylpropoxy)-1,2,3,4-tetrahydro-2,6-naphthyridine is Clc1ccc(C2CNCc3cc(OCCCN4CCCCC4)ncc32)cc1Cl.
What is the InChIKey of 4-(3,4-dichlorophenyl)-7-(3-piperidin-1-ylpropoxy)-1,2,3,4-tetrahydro-2,6-naphthyridine?
The InChIKey is RTXNVJXREKUAHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27Cl2N3O/c23-20-6-5-16(11-21(20)24)18-14-25-13-17-12-22(26-15-19(17)18)28-10-4-9-27-7-2-1-3-8-27/h5-6,11-12,15,18,25H,1-4,7-10,13-14H2.
What are the key properties of 4-(3,4-dichlorophenyl)-7-(3-piperidin-1-ylpropoxy)-1,2,3,4-tetrahydro-2,6-naphthyridine?
4-(3,4-dichlorophenyl)-7-(3-piperidin-1-ylpropoxy)-1,2,3,4-tetrahydro-2,6-naphthyridine has a molecular weight of 420.38 g/mol, XLogP of 4.88, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dichlorophenyl)-7-(3-piperidin-1-ylpropoxy)-1,2,3,4-tetrahydro-2,6-naphthyridine is sourced from PubChem (CID 15983579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).