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

C21H25Cl2N3O2 — CID 15983837

IUPAC4-[3-[[8-(3,4-dichlorophenyl)-5,6,7,8-tetrahydro-2,6-naphthyridin-3-yl]oxy]propyl]morpholine
SMILESClc1ccc(C2CNCc3cc(OCCCN4CCOCC4)ncc32)cc1Cl
InChIInChI=1S/C21H25Cl2N3O2/c22-19-3-2-15(10-20(19)23)17-13-24-12-16-11-21(25-14-18(16)17)28-7-1-4-26-5-8-27-9-6-26/h2-3,10-11,14,17,24H,1,4-9,12-13H2
InChIKeyNFBJCGHEDIFXSG-UHFFFAOYSA-N
MW422.36 g/mol
LogP3.72
Rot. Bonds6

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

4-[3-[[8-(3,4-dichlorophenyl)-5,6,7,8-tetrahydro-2,6-naphthyridin-3-yl]oxy]propyl]morpholine (PubChem CID 15983837) has the molecular formula C21H25Cl2N3O2 and a molecular weight of 422.36 g/mol. Its IUPAC name is 4-[3-[[8-(3,4-dichlorophenyl)-5,6,7,8-tetrahydro-2,6-naphthyridin-3-yl]oxy]propyl]morpholine.

Molecular Properties

Compound Name4-[3-[[8-(3,4-dichlorophenyl)-5,6,7,8-tetrahydro-2,6-naphthyridin-3-yl]oxy]propyl]morpholine
PubChem CID15983837
Molecular FormulaC21H25Cl2N3O2
Molecular Weight422.36 g/mol
Exact Mass421.13
IUPAC Name4-[3-[[8-(3,4-dichlorophenyl)-5,6,7,8-tetrahydro-2,6-naphthyridin-3-yl]oxy]propyl]morpholine
SMILESClc1ccc(C2CNCc3cc(OCCCN4CCOCC4)ncc32)cc1Cl
InChIInChI=1S/C21H25Cl2N3O2/c22-19-3-2-15(10-20(19)23)17-13-24-12-16-11-21(25-14-18(16)17)28-7-1-4-26-5-8-27-9-6-26/h2-3,10-11,14,17,24H,1,4-9,12-13H2
InChIKeyNFBJCGHEDIFXSG-UHFFFAOYSA-N
XLogP3.72
TPSA46.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.36
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-[3-[[8-(3,4-dichlorophenyl)-5,6,7,8-tetrahydro-2,6-naphthyridin-3-yl]oxy]propyl]morpholine with MolForge

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Related Compounds

(4S)-4-(3,4-dichlorophenyl)-7-(3-piperidin-1-ylpropoxy)-1,2,3,4-tetrahydro-2,6-naphthyridine
CID 15982168
3-[[8-(3,4-dichlorophenyl)-5,6,7,8-tetrahydro-2,6-naphthyridin-3-yl]oxy]-N,N-diethylpropan-1-amine
CID 15983706
4-(4-methoxyphenyl)-7-(3-piperidin-1-ylpropoxy)-1,2,3,4-tetrahydro-2,6-naphthyridine
CID 15983458
7-[3-(4,4-difluoropiperidin-1-yl)propoxy]-4-(4-methoxyphenyl)-1,2,3,4-tetrahydro-2,6-naphthyridine
CID 15983704
4-[3-[[4-(3,4-dichlorophenyl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]oxy]propyl]morpholine
CID 11561136
4-(4-chlorophenyl)-2-methyl-7-(3-piperidin-1-ylpropoxy)-3,4-dihydro-1H-2,6-naphthyridine
CID 15981916
4-[4-[1-(3,4-dichlorophenyl)pyrazol-3-yl]oxybutyl]morpholine;hydrochloride
CID 67204666
[6-(3,4-dichlorophenyl)-5,6-dihydrobenzo[h]quinazolin-2-yl]-(3-morpholin-4-ylpropyl)carbamic acid
CID 67541189
[(6S)-6-(3,4-dichlorophenyl)-5,6-dihydrobenzo[h]quinazolin-2-yl]-(3-morpholin-4-ylpropyl)carbamic acid
CID 67542578
[4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydroisoquinolin-7-yl] trifluoromethanesulfonate
CID 86647718
3-chloro-4-(3-morpholin-4-ylpropoxy)aniline
CID 123911683
4-[2-[2-[1-(3,4-dichlorophenyl)pyrazol-3-yl]oxyethoxy]ethyl]morpholine
CID 24739749

Frequently Asked Questions

What is the IUPAC name of 4-[3-[[8-(3,4-dichlorophenyl)-5,6,7,8-tetrahydro-2,6-naphthyridin-3-yl]oxy]propyl]morpholine?
The IUPAC name of 4-[3-[[8-(3,4-dichlorophenyl)-5,6,7,8-tetrahydro-2,6-naphthyridin-3-yl]oxy]propyl]morpholine (CID 15983837) is 4-[3-[[8-(3,4-dichlorophenyl)-5,6,7,8-tetrahydro-2,6-naphthyridin-3-yl]oxy]propyl]morpholine.
What is the SMILES notation for 4-[3-[[8-(3,4-dichlorophenyl)-5,6,7,8-tetrahydro-2,6-naphthyridin-3-yl]oxy]propyl]morpholine?
The canonical SMILES for 4-[3-[[8-(3,4-dichlorophenyl)-5,6,7,8-tetrahydro-2,6-naphthyridin-3-yl]oxy]propyl]morpholine is Clc1ccc(C2CNCc3cc(OCCCN4CCOCC4)ncc32)cc1Cl.
What is the InChIKey of 4-[3-[[8-(3,4-dichlorophenyl)-5,6,7,8-tetrahydro-2,6-naphthyridin-3-yl]oxy]propyl]morpholine?
The InChIKey is NFBJCGHEDIFXSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25Cl2N3O2/c22-19-3-2-15(10-20(19)23)17-13-24-12-16-11-21(25-14-18(16)17)28-7-1-4-26-5-8-27-9-6-26/h2-3,10-11,14,17,24H,1,4-9,12-13H2.
What are the key properties of 4-[3-[[8-(3,4-dichlorophenyl)-5,6,7,8-tetrahydro-2,6-naphthyridin-3-yl]oxy]propyl]morpholine?
4-[3-[[8-(3,4-dichlorophenyl)-5,6,7,8-tetrahydro-2,6-naphthyridin-3-yl]oxy]propyl]morpholine has a molecular weight of 422.36 g/mol, XLogP of 3.72, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[[8-(3,4-dichlorophenyl)-5,6,7,8-tetrahydro-2,6-naphthyridin-3-yl]oxy]propyl]morpholine is sourced from PubChem (CID 15983837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).