8-decoxy-3-heptoxy-5,6-dihydrobenzo[f]quinoline

C30H45NO2 — CID 57286195

IUPAC8-decoxy-3-heptoxy-5,6-dihydrobenzo[f]quinoline
SMILESCCCCCCCCCCOc1ccc2c(c1)CCc1nc(OCCCCCCC)ccc1-2
InChIInChI=1S/C30H45NO2/c1-3-5-7-9-10-11-13-14-22-32-26-17-18-27-25(24-26)16-20-29-28(27)19-21-30(31-29)33-23-15-12-8-6-4-2/h17-19,21,24H,3-16,20,22-23H2,1-2H3
InChIKeyDRVSIUUBLAAITC-UHFFFAOYSA-N
MW451.70 g/mol
LogP8.72
Rot. Bonds17

About 8-decoxy-3-heptoxy-5,6-dihydrobenzo[f]quinoline

8-decoxy-3-heptoxy-5,6-dihydrobenzo[f]quinoline (PubChem CID 57286195) has the molecular formula C30H45NO2 and a molecular weight of 451.70 g/mol. Its IUPAC name is 8-decoxy-3-heptoxy-5,6-dihydrobenzo[f]quinoline.

Molecular Properties

Compound Name8-decoxy-3-heptoxy-5,6-dihydrobenzo[f]quinoline
PubChem CID57286195
Molecular FormulaC30H45NO2
Molecular Weight451.70 g/mol
Exact Mass451.35
IUPAC Name8-decoxy-3-heptoxy-5,6-dihydrobenzo[f]quinoline
SMILESCCCCCCCCCCOc1ccc2c(c1)CCc1nc(OCCCCCCC)ccc1-2
InChIInChI=1S/C30H45NO2/c1-3-5-7-9-10-11-13-14-22-32-26-17-18-27-25(24-26)16-20-29-28(27)19-21-30(31-29)33-23-15-12-8-6-4-2/h17-19,21,24H,3-16,20,22-23H2,1-2H3
InChIKeyDRVSIUUBLAAITC-UHFFFAOYSA-N
XLogP8.72
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds17
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.70
LogP ≤ 58.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-butoxy-8-decoxy-5,6-dihydro-4,7-phenanthroline
CID 57068424
3-butoxy-8-hexoxy-5,6-dihydro-4,7-phenanthroline
CID 57133446
3-hexoxy-8-nonoxy-5,6-dihydro-4,7-phenanthroline
CID 57258653
2-pentoxy-9,10-dihydrophenanthrene
CID 143490734
5-pentoxy-2,3-dihydroinden-1-one
CID 104986088
7-fluoro-3-heptoxy-8-octoxy-5,6-dihydrobenzo[f]quinoline
CID 57174926
7-fluoro-8-heptoxy-3-octoxy-5,6-dihydrobenzo[f]quinoline
CID 57165176
1-fluoro-7-heptoxy-2-pentoxy-9,10-dihydrophenanthrene
CID 21267234
1-fluoro-2-nonoxy-7-propoxy-9,10-dihydrophenanthrene
CID 21267085
6-hexadecoxy-3,4-dihydro-2H-naphthalen-1-one
CID 71387522
2-butoxy-7-(trifluoromethoxy)-9,10-dihydrophenanthrene
CID 18377936
3-butoxy-8-hexoxybenzo[f]quinoline
CID 21267338

Frequently Asked Questions

What is the IUPAC name of 8-decoxy-3-heptoxy-5,6-dihydrobenzo[f]quinoline?
The IUPAC name of 8-decoxy-3-heptoxy-5,6-dihydrobenzo[f]quinoline (CID 57286195) is 8-decoxy-3-heptoxy-5,6-dihydrobenzo[f]quinoline.
What is the SMILES notation for 8-decoxy-3-heptoxy-5,6-dihydrobenzo[f]quinoline?
The canonical SMILES for 8-decoxy-3-heptoxy-5,6-dihydrobenzo[f]quinoline is CCCCCCCCCCOc1ccc2c(c1)CCc1nc(OCCCCCCC)ccc1-2.
What is the InChIKey of 8-decoxy-3-heptoxy-5,6-dihydrobenzo[f]quinoline?
The InChIKey is DRVSIUUBLAAITC-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H45NO2/c1-3-5-7-9-10-11-13-14-22-32-26-17-18-27-25(24-26)16-20-29-28(27)19-21-30(31-29)33-23-15-12-8-6-4-2/h17-19,21,24H,3-16,20,22-23H2,1-2H3.
What are the key properties of 8-decoxy-3-heptoxy-5,6-dihydrobenzo[f]quinoline?
8-decoxy-3-heptoxy-5,6-dihydrobenzo[f]quinoline has a molecular weight of 451.70 g/mol, XLogP of 8.72, 17 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-decoxy-3-heptoxy-5,6-dihydrobenzo[f]quinoline is sourced from PubChem (CID 57286195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).