7-fluoro-3-heptoxy-8-octoxy-5,6-dihydrobenzo[f]quinoline

C28H40FNO2 — CID 57174926

IUPAC7-fluoro-3-heptoxy-8-octoxy-5,6-dihydrobenzo[f]quinoline
SMILESCCCCCCCCOc1ccc2c(c1F)CCc1nc(OCCCCCCC)ccc1-2
InChIInChI=1S/C28H40FNO2/c1-3-5-7-9-11-12-20-31-26-18-15-22-23-16-19-27(32-21-13-10-8-6-4-2)30-25(23)17-14-24(22)28(26)29/h15-16,18-19H,3-14,17,20-21H2,1-2H3
InChIKeyKFVXCEAIQZSCDP-UHFFFAOYSA-N
MW441.63 g/mol
LogP8.07
Rot. Bonds15

About 7-fluoro-3-heptoxy-8-octoxy-5,6-dihydrobenzo[f]quinoline

7-fluoro-3-heptoxy-8-octoxy-5,6-dihydrobenzo[f]quinoline (PubChem CID 57174926) has the molecular formula C28H40FNO2 and a molecular weight of 441.63 g/mol. Its IUPAC name is 7-fluoro-3-heptoxy-8-octoxy-5,6-dihydrobenzo[f]quinoline.

Molecular Properties

Compound Name7-fluoro-3-heptoxy-8-octoxy-5,6-dihydrobenzo[f]quinoline
PubChem CID57174926
Molecular FormulaC28H40FNO2
Molecular Weight441.63 g/mol
Exact Mass441.30
IUPAC Name7-fluoro-3-heptoxy-8-octoxy-5,6-dihydrobenzo[f]quinoline
SMILESCCCCCCCCOc1ccc2c(c1F)CCc1nc(OCCCCCCC)ccc1-2
InChIInChI=1S/C28H40FNO2/c1-3-5-7-9-11-12-20-31-26-18-15-22-23-16-19-27(32-21-13-10-8-6-4-2)30-25(23)17-14-24(22)28(26)29/h15-16,18-19H,3-14,17,20-21H2,1-2H3
InChIKeyKFVXCEAIQZSCDP-UHFFFAOYSA-N
XLogP8.07
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.63
LogP ≤ 58.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 7-fluoro-3-heptoxy-8-octoxy-5,6-dihydrobenzo[f]quinoline with MolForge

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Related Compounds

7-fluoro-8-heptoxy-3-octoxy-5,6-dihydrobenzo[f]quinoline
CID 57165176
2-decoxy-1,8-difluoro-7-hexoxy-9,10-dihydrophenanthrene
CID 21267463
2-decoxy-1,8-difluoro-7-nonoxy-9,10-dihydrophenanthrene
CID 21267095
1,8-difluoro-2-heptoxy-7-pentoxy-9,10-dihydrophenanthrene
CID 21267371
2-butoxy-1,8-difluoro-7-octoxy-9,10-dihydrophenanthrene
CID 21267281
2-butoxy-7-decoxy-1,8-difluoro-9,10-dihydrophenanthrene
CID 21267454
3-hexoxy-8-nonoxy-5,6-dihydro-4,7-phenanthroline
CID 57258653
3-butoxy-8-decoxy-5,6-dihydro-4,7-phenanthroline
CID 57068424
3-butoxy-8-hexoxy-5,6-dihydro-4,7-phenanthroline
CID 57133446
1-fluoro-7-heptoxy-2-pentoxy-9,10-dihydrophenanthrene
CID 21267234
1,8-difluoro-2-hexyl-7-propoxy-9,10-dihydrophenanthrene
CID 174404195
8-decoxy-3-heptoxy-5,6-dihydrobenzo[f]quinoline
CID 57286195

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-3-heptoxy-8-octoxy-5,6-dihydrobenzo[f]quinoline?
The IUPAC name of 7-fluoro-3-heptoxy-8-octoxy-5,6-dihydrobenzo[f]quinoline (CID 57174926) is 7-fluoro-3-heptoxy-8-octoxy-5,6-dihydrobenzo[f]quinoline.
What is the SMILES notation for 7-fluoro-3-heptoxy-8-octoxy-5,6-dihydrobenzo[f]quinoline?
The canonical SMILES for 7-fluoro-3-heptoxy-8-octoxy-5,6-dihydrobenzo[f]quinoline is CCCCCCCCOc1ccc2c(c1F)CCc1nc(OCCCCCCC)ccc1-2.
What is the InChIKey of 7-fluoro-3-heptoxy-8-octoxy-5,6-dihydrobenzo[f]quinoline?
The InChIKey is KFVXCEAIQZSCDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H40FNO2/c1-3-5-7-9-11-12-20-31-26-18-15-22-23-16-19-27(32-21-13-10-8-6-4-2)30-25(23)17-14-24(22)28(26)29/h15-16,18-19H,3-14,17,20-21H2,1-2H3.
What are the key properties of 7-fluoro-3-heptoxy-8-octoxy-5,6-dihydrobenzo[f]quinoline?
7-fluoro-3-heptoxy-8-octoxy-5,6-dihydrobenzo[f]quinoline has a molecular weight of 441.63 g/mol, XLogP of 8.07, 15 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-3-heptoxy-8-octoxy-5,6-dihydrobenzo[f]quinoline is sourced from PubChem (CID 57174926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).