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

C23H30ClN3O — CID 15981916

IUPAC4-(4-chlorophenyl)-2-methyl-7-(3-piperidin-1-ylpropoxy)-3,4-dihydro-1H-2,6-naphthyridine
SMILESCN1Cc2cc(OCCCN3CCCCC3)ncc2C(c2ccc(Cl)cc2)C1
InChIInChI=1S/C23H30ClN3O/c1-26-16-19-14-23(28-13-5-12-27-10-3-2-4-11-27)25-15-21(19)22(17-26)18-6-8-20(24)9-7-18/h6-9,14-15,22H,2-5,10-13,16-17H2,1H3
InChIKeyFLZMPXADQFZKGE-UHFFFAOYSA-N
MW399.97 g/mol
LogP4.57
Rot. Bonds6

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

4-(4-chlorophenyl)-2-methyl-7-(3-piperidin-1-ylpropoxy)-3,4-dihydro-1H-2,6-naphthyridine (PubChem CID 15981916) has the molecular formula C23H30ClN3O and a molecular weight of 399.97 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-2-methyl-7-(3-piperidin-1-ylpropoxy)-3,4-dihydro-1H-2,6-naphthyridine.

Molecular Properties

Compound Name4-(4-chlorophenyl)-2-methyl-7-(3-piperidin-1-ylpropoxy)-3,4-dihydro-1H-2,6-naphthyridine
PubChem CID15981916
Molecular FormulaC23H30ClN3O
Molecular Weight399.97 g/mol
Exact Mass399.21
IUPAC Name4-(4-chlorophenyl)-2-methyl-7-(3-piperidin-1-ylpropoxy)-3,4-dihydro-1H-2,6-naphthyridine
SMILESCN1Cc2cc(OCCCN3CCCCC3)ncc2C(c2ccc(Cl)cc2)C1
InChIInChI=1S/C23H30ClN3O/c1-26-16-19-14-23(28-13-5-12-27-10-3-2-4-11-27)25-15-21(19)22(17-26)18-6-8-20(24)9-7-18/h6-9,14-15,22H,2-5,10-13,16-17H2,1H3
InChIKeyFLZMPXADQFZKGE-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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Related Compounds

(4S)-4-(3,4-dichlorophenyl)-7-(3-piperidin-1-ylpropoxy)-1,2,3,4-tetrahydro-2,6-naphthyridine
CID 15982168
2-methyl-7-(3-piperidin-1-ylpropoxy)-4-pyridin-3-yl-3,4-dihydro-1H-isoquinoline
CID 11710352
4-(4-methoxyphenyl)-7-(3-piperidin-1-ylpropoxy)-1,2,3,4-tetrahydro-2,6-naphthyridine
CID 15983458
4-[3-[[4-(3,4-dichlorophenyl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]oxy]propyl]morpholine
CID 11561136
7-[3-(azetidin-1-yl)propoxy]-4-(4-methoxyphenyl)-2,6-dimethyl-3,4-dihydro-1H-isoquinoline
CID 70807228
4-[7-[3-(4-fluoropiperidin-1-yl)propoxy]-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]benzenethiol
CID 143247921
4-(4-methoxyphenyl)-2-methyl-7-[3-[3-(trifluoromethyl)piperidin-1-yl]propoxy]-3,4-dihydro-1H-isoquinoline
CID 11669833
4-[3-[[8-(3,4-dichlorophenyl)-5,6,7,8-tetrahydro-2,6-naphthyridin-3-yl]oxy]propyl]morpholine
CID 15983837
8-[3-[[4-(4-methoxyphenyl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]oxy]propyl]-1,4-dioxa-8-azaspiro[4.5]decane
CID 11597632
1-[[4-(4-methoxyphenyl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]oxy]-3-piperidin-1-ylpropan-2-ol
CID 57447785
7-[3-(4,4-difluoropiperidin-1-yl)propoxy]-4-(4-methoxyphenyl)-1,2,3,4-tetrahydro-2,6-naphthyridine
CID 15983704
4-[(6R,10bS)-9-(3-piperidin-1-ylpropoxy)-1,2,3,5,6,10b-hexahydropyrrolo[2,1-a]isoquinolin-6-yl]-N,N-dimethylaniline
CID 59383377

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-2-methyl-7-(3-piperidin-1-ylpropoxy)-3,4-dihydro-1H-2,6-naphthyridine?
The IUPAC name of 4-(4-chlorophenyl)-2-methyl-7-(3-piperidin-1-ylpropoxy)-3,4-dihydro-1H-2,6-naphthyridine (CID 15981916) is 4-(4-chlorophenyl)-2-methyl-7-(3-piperidin-1-ylpropoxy)-3,4-dihydro-1H-2,6-naphthyridine.
What is the SMILES notation for 4-(4-chlorophenyl)-2-methyl-7-(3-piperidin-1-ylpropoxy)-3,4-dihydro-1H-2,6-naphthyridine?
The canonical SMILES for 4-(4-chlorophenyl)-2-methyl-7-(3-piperidin-1-ylpropoxy)-3,4-dihydro-1H-2,6-naphthyridine is CN1Cc2cc(OCCCN3CCCCC3)ncc2C(c2ccc(Cl)cc2)C1.
What is the InChIKey of 4-(4-chlorophenyl)-2-methyl-7-(3-piperidin-1-ylpropoxy)-3,4-dihydro-1H-2,6-naphthyridine?
The InChIKey is FLZMPXADQFZKGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30ClN3O/c1-26-16-19-14-23(28-13-5-12-27-10-3-2-4-11-27)25-15-21(19)22(17-26)18-6-8-20(24)9-7-18/h6-9,14-15,22H,2-5,10-13,16-17H2,1H3.
What are the key properties of 4-(4-chlorophenyl)-2-methyl-7-(3-piperidin-1-ylpropoxy)-3,4-dihydro-1H-2,6-naphthyridine?
4-(4-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-(4-chlorophenyl)-2-methyl-7-(3-piperidin-1-ylpropoxy)-3,4-dihydro-1H-2,6-naphthyridine is sourced from PubChem (CID 15981916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).