3-butoxy-8-hexoxybenzo[f]quinoline

C23H29NO2 — CID 21267338

IUPAC3-butoxy-8-hexoxybenzo[f]quinoline
SMILESCCCCCCOc1ccc2c(ccc3nc(OCCCC)ccc32)c1
InChIInChI=1S/C23H29NO2/c1-3-5-7-8-16-25-19-10-11-20-18(17-19)9-13-22-21(20)12-14-23(24-22)26-15-6-4-2/h9-14,17H,3-8,15-16H2,1-2H3
InChIKeyAGFBFOMWFUAFLI-UHFFFAOYSA-N
MW351.49 g/mol
LogP6.53
Rot. Bonds10

About 3-butoxy-8-hexoxybenzo[f]quinoline

3-butoxy-8-hexoxybenzo[f]quinoline (PubChem CID 21267338) has the molecular formula C23H29NO2 and a molecular weight of 351.49 g/mol. Its IUPAC name is 3-butoxy-8-hexoxybenzo[f]quinoline.

Molecular Properties

Compound Name3-butoxy-8-hexoxybenzo[f]quinoline
PubChem CID21267338
Molecular FormulaC23H29NO2
Molecular Weight351.49 g/mol
Exact Mass351.22
IUPAC Name3-butoxy-8-hexoxybenzo[f]quinoline
SMILESCCCCCCOc1ccc2c(ccc3nc(OCCCC)ccc32)c1
InChIInChI=1S/C23H29NO2/c1-3-5-7-8-16-25-19-10-11-20-18(17-19)9-13-22-21(20)12-14-23(24-22)26-15-6-4-2/h9-14,17H,3-8,15-16H2,1-2H3
InChIKeyAGFBFOMWFUAFLI-UHFFFAOYSA-N
XLogP6.53
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.49
LogP ≤ 56.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

3-heptoxy-8-hexoxybenzo[f]quinoline
CID 21267303
butyl-[4-(3-hexoxybenzo[f]quinolin-8-yl)oxybutyl]-dimethylsilane
CID 19033790
3-nonoxy-8-octoxy-4,7-phenanthroline
CID 21267382
3-decoxy-8-undecoxy-4,7-phenanthroline
CID 21267174
1-fluoro-2-heptoxy-7-octoxyphenanthrene
CID 21267320
2-pentoxyquinolin-6-amine
CID 43451126
6-tridecoxyquinoline
CID 174908858
6-(8-bromooctoxy)-2-methoxyquinoline
CID 66960886
1,6-dipentoxynaphthalene
CID 22144299
2-butoxy-7-fluorophenanthrene
CID 18377931
3-hexoxyacridine
CID 141299786
2,6-bis(6-hexoxynaphthalen-2-yl)anthracene
CID 102033937

Frequently Asked Questions

What is the IUPAC name of 3-butoxy-8-hexoxybenzo[f]quinoline?
The IUPAC name of 3-butoxy-8-hexoxybenzo[f]quinoline (CID 21267338) is 3-butoxy-8-hexoxybenzo[f]quinoline.
What is the SMILES notation for 3-butoxy-8-hexoxybenzo[f]quinoline?
The canonical SMILES for 3-butoxy-8-hexoxybenzo[f]quinoline is CCCCCCOc1ccc2c(ccc3nc(OCCCC)ccc32)c1.
What is the InChIKey of 3-butoxy-8-hexoxybenzo[f]quinoline?
The InChIKey is AGFBFOMWFUAFLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29NO2/c1-3-5-7-8-16-25-19-10-11-20-18(17-19)9-13-22-21(20)12-14-23(24-22)26-15-6-4-2/h9-14,17H,3-8,15-16H2,1-2H3.
What are the key properties of 3-butoxy-8-hexoxybenzo[f]quinoline?
3-butoxy-8-hexoxybenzo[f]quinoline has a molecular weight of 351.49 g/mol, XLogP of 6.53, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butoxy-8-hexoxybenzo[f]quinoline is sourced from PubChem (CID 21267338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).