7-[4-[4-(2-ethylphenyl)piperazin-1-yl]butoxy]-4,4-dimethyl-2,3-dihydro-1H-1,8-naphthyridine

C26H38N4O — CID 150335579

IUPAC7-[4-[4-(2-ethylphenyl)piperazin-1-yl]butoxy]-4,4-dimethyl-2,3-dihydro-1H-1,8-naphthyridine
SMILESCCc1ccccc1N1CCN(CCCCOc2ccc3c(n2)NCCC3(C)C)CC1
InChIInChI=1S/C26H38N4O/c1-4-21-9-5-6-10-23(21)30-18-16-29(17-19-30)15-7-8-20-31-24-12-11-22-25(28-24)27-14-13-26(22,2)3/h5-6,9-12H,4,7-8,13-20H2,1-3H3,(H,27,28)
InChIKeyGQPDPVKPWSBRNA-UHFFFAOYSA-N
MW422.62 g/mol
LogP4.72
Rot. Bonds8

About 7-[4-[4-(2-ethylphenyl)piperazin-1-yl]butoxy]-4,4-dimethyl-2,3-dihydro-1H-1,8-naphthyridine

7-[4-[4-(2-ethylphenyl)piperazin-1-yl]butoxy]-4,4-dimethyl-2,3-dihydro-1H-1,8-naphthyridine (PubChem CID 150335579) has the molecular formula C26H38N4O and a molecular weight of 422.62 g/mol. Its IUPAC name is 7-[4-[4-(2-ethylphenyl)piperazin-1-yl]butoxy]-4,4-dimethyl-2,3-dihydro-1H-1,8-naphthyridine.

Molecular Properties

Compound Name7-[4-[4-(2-ethylphenyl)piperazin-1-yl]butoxy]-4,4-dimethyl-2,3-dihydro-1H-1,8-naphthyridine
PubChem CID150335579
Molecular FormulaC26H38N4O
Molecular Weight422.62 g/mol
Exact Mass422.30
IUPAC Name7-[4-[4-(2-ethylphenyl)piperazin-1-yl]butoxy]-4,4-dimethyl-2,3-dihydro-1H-1,8-naphthyridine
SMILESCCc1ccccc1N1CCN(CCCCOc2ccc3c(n2)NCCC3(C)C)CC1
InChIInChI=1S/C26H38N4O/c1-4-21-9-5-6-10-23(21)30-18-16-29(17-19-30)15-7-8-20-31-24-12-11-22-25(28-24)27-14-13-26(22,2)3/h5-6,9-12H,4,7-8,13-20H2,1-3H3,(H,27,28)
InChIKeyGQPDPVKPWSBRNA-UHFFFAOYSA-N
XLogP4.72
TPSA40.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.62
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4,4-dimethyl-7-[4-(4-naphthalen-1-ylpiperazin-1-yl)butoxy]-1H-pyrido[2,3-d][1,3]oxazin-2-one
CID 21073347
7-[4-[4-(2,2-dimethyl-3-oxo-1H-inden-4-yl)piperazin-1-yl]butoxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one
CID 21073518
1-[2-(ethoxymethyl)phenyl]-4-[4-[[6-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]butyl]piperazine
CID 163997494
9-[4-[4-(5,6,7,8-tetrahydronaphthalen-1-yl)piperazin-1-yl]butoxy]-3,4,5,6-tetrahydro-1H-pyrido[2,3-d][1,3]diazocin-2-one
CID 143300653
7-[4-(4-isoquinolin-4-ylpiperazin-1-yl)butoxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one
CID 11683437
7-[4-[4-(1,2,3,4-tetrahydroisoquinolin-5-yl)piperazin-1-yl]butoxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one
CID 21073481
7-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]-3,3-dimethyl-1H-1,8-naphthyridine-2,4-dione
CID 21073534
7-[4-(4-phenylpiperazin-1-yl)butoxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one
CID 21073818
7-[4-[4-(5-fluoronaphthalen-1-yl)piperazin-1-yl]butoxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one
CID 21073716
7-[4-[4-(2-oxo-1,3-dihydroinden-4-yl)piperazin-1-yl]butoxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one
CID 21073630
7-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]-4-hydroxy-3,3-dimethyl-1,4-dihydro-1,8-naphthyridin-2-one
CID 21073544
5-[4-[4-(2-fluorophenyl)piperazin-1-yl]butoxy]-2,3-dimethylpyrazine
CID 139654537

Frequently Asked Questions

What is the IUPAC name of 7-[4-[4-(2-ethylphenyl)piperazin-1-yl]butoxy]-4,4-dimethyl-2,3-dihydro-1H-1,8-naphthyridine?
The IUPAC name of 7-[4-[4-(2-ethylphenyl)piperazin-1-yl]butoxy]-4,4-dimethyl-2,3-dihydro-1H-1,8-naphthyridine (CID 150335579) is 7-[4-[4-(2-ethylphenyl)piperazin-1-yl]butoxy]-4,4-dimethyl-2,3-dihydro-1H-1,8-naphthyridine.
What is the SMILES notation for 7-[4-[4-(2-ethylphenyl)piperazin-1-yl]butoxy]-4,4-dimethyl-2,3-dihydro-1H-1,8-naphthyridine?
The canonical SMILES for 7-[4-[4-(2-ethylphenyl)piperazin-1-yl]butoxy]-4,4-dimethyl-2,3-dihydro-1H-1,8-naphthyridine is CCc1ccccc1N1CCN(CCCCOc2ccc3c(n2)NCCC3(C)C)CC1.
What is the InChIKey of 7-[4-[4-(2-ethylphenyl)piperazin-1-yl]butoxy]-4,4-dimethyl-2,3-dihydro-1H-1,8-naphthyridine?
The InChIKey is GQPDPVKPWSBRNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H38N4O/c1-4-21-9-5-6-10-23(21)30-18-16-29(17-19-30)15-7-8-20-31-24-12-11-22-25(28-24)27-14-13-26(22,2)3/h5-6,9-12H,4,7-8,13-20H2,1-3H3,(H,27,28).
What are the key properties of 7-[4-[4-(2-ethylphenyl)piperazin-1-yl]butoxy]-4,4-dimethyl-2,3-dihydro-1H-1,8-naphthyridine?
7-[4-[4-(2-ethylphenyl)piperazin-1-yl]butoxy]-4,4-dimethyl-2,3-dihydro-1H-1,8-naphthyridine has a molecular weight of 422.62 g/mol, XLogP of 4.72, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-[4-(2-ethylphenyl)piperazin-1-yl]butoxy]-4,4-dimethyl-2,3-dihydro-1H-1,8-naphthyridine is sourced from PubChem (CID 150335579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).