3-heptoxy-8-hexoxybenzo[f]quinoline

C26H35NO2 — CID 21267303

IUPAC3-heptoxy-8-hexoxybenzo[f]quinoline
SMILESCCCCCCCOc1ccc2c(ccc3cc(OCCCCCC)ccc32)n1
InChIInChI=1S/C26H35NO2/c1-3-5-7-9-11-19-29-26-17-15-24-23-14-13-22(28-18-10-8-6-4-2)20-21(23)12-16-25(24)27-26/h12-17,20H,3-11,18-19H2,1-2H3
InChIKeyNAYLHOMXTYBUFK-UHFFFAOYSA-N
MW393.57 g/mol
LogP7.70
Rot. Bonds13

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

3-heptoxy-8-hexoxybenzo[f]quinoline (PubChem CID 21267303) has the molecular formula C26H35NO2 and a molecular weight of 393.57 g/mol. Its IUPAC name is 3-heptoxy-8-hexoxybenzo[f]quinoline.

Molecular Properties

Compound Name3-heptoxy-8-hexoxybenzo[f]quinoline
PubChem CID21267303
Molecular FormulaC26H35NO2
Molecular Weight393.57 g/mol
Exact Mass393.27
IUPAC Name3-heptoxy-8-hexoxybenzo[f]quinoline
SMILESCCCCCCCOc1ccc2c(ccc3cc(OCCCCCC)ccc32)n1
InChIInChI=1S/C26H35NO2/c1-3-5-7-9-11-19-29-26-17-15-24-23-14-13-22(28-18-10-8-6-4-2)20-21(23)12-16-25(24)27-26/h12-17,20H,3-11,18-19H2,1-2H3
InChIKeyNAYLHOMXTYBUFK-UHFFFAOYSA-N
XLogP7.70
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.57
LogP ≤ 57.70
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-butoxy-8-hexoxybenzo[f]quinoline
CID 21267338
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-heptoxy-8-hexoxybenzo[f]quinoline?
The IUPAC name of 3-heptoxy-8-hexoxybenzo[f]quinoline (CID 21267303) is 3-heptoxy-8-hexoxybenzo[f]quinoline.
What is the SMILES notation for 3-heptoxy-8-hexoxybenzo[f]quinoline?
The canonical SMILES for 3-heptoxy-8-hexoxybenzo[f]quinoline is CCCCCCCOc1ccc2c(ccc3cc(OCCCCCC)ccc32)n1.
What is the InChIKey of 3-heptoxy-8-hexoxybenzo[f]quinoline?
The InChIKey is NAYLHOMXTYBUFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35NO2/c1-3-5-7-9-11-19-29-26-17-15-24-23-14-13-22(28-18-10-8-6-4-2)20-21(23)12-16-25(24)27-26/h12-17,20H,3-11,18-19H2,1-2H3.
What are the key properties of 3-heptoxy-8-hexoxybenzo[f]quinoline?
3-heptoxy-8-hexoxybenzo[f]quinoline has a molecular weight of 393.57 g/mol, XLogP of 7.70, 13 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-heptoxy-8-hexoxybenzo[f]quinoline is sourced from PubChem (CID 21267303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).