3-(3,5-dimethoxyphenyl)-1-(4-fluorophenyl)benzo[f]quinoline

C27H20FNO2 — CID 44613761

IUPAC3-(3,5-dimethoxyphenyl)-1-(4-fluorophenyl)benzo[f]quinoline
SMILESCOc1cc(OC)cc(-c2cc(-c3ccc(F)cc3)c3c(ccc4ccccc43)n2)c1
InChIInChI=1S/C27H20FNO2/c1-30-21-13-19(14-22(15-21)31-2)26-16-24(18-7-10-20(28)11-8-18)27-23-6-4-3-5-17(23)9-12-25(27)29-26/h3-16H,1-2H3
InChIKeyLACIGOIRHBWTSA-UHFFFAOYSA-N
MW409.46 g/mol
LogP6.88
Rot. Bonds4

About 3-(3,5-dimethoxyphenyl)-1-(4-fluorophenyl)benzo[f]quinoline

3-(3,5-dimethoxyphenyl)-1-(4-fluorophenyl)benzo[f]quinoline (PubChem CID 44613761) has the molecular formula C27H20FNO2 and a molecular weight of 409.46 g/mol. Its IUPAC name is 3-(3,5-dimethoxyphenyl)-1-(4-fluorophenyl)benzo[f]quinoline.

Molecular Properties

Compound Name3-(3,5-dimethoxyphenyl)-1-(4-fluorophenyl)benzo[f]quinoline
PubChem CID44613761
Molecular FormulaC27H20FNO2
Molecular Weight409.46 g/mol
Exact Mass409.15
IUPAC Name3-(3,5-dimethoxyphenyl)-1-(4-fluorophenyl)benzo[f]quinoline
SMILESCOc1cc(OC)cc(-c2cc(-c3ccc(F)cc3)c3c(ccc4ccccc43)n2)c1
InChIInChI=1S/C27H20FNO2/c1-30-21-13-19(14-22(15-21)31-2)26-16-24(18-7-10-20(28)11-8-18)27-23-6-4-3-5-17(23)9-12-25(27)29-26/h3-16H,1-2H3
InChIKeyLACIGOIRHBWTSA-UHFFFAOYSA-N
XLogP6.88
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.46
LogP ≤ 56.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1,3-bis(4-methoxyphenyl)benzo[f]quinoline
CID 17201995
3-(4-fluorophenyl)-1-phenylbenzo[f]quinoline
CID 17202000
1,3-bis(4-chlorophenyl)benzo[f]quinoline
CID 17201997
1-phenyl-3-[4-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]benzo[f]quinoline
CID 146185311
3-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]-1-phenylbenzo[f]quinoline
CID 146185305
1-(4-chlorophenyl)-3-(4-ethoxyphenyl)benzo[f]quinoline;hydrochloride
CID 90485158
1-[4-[4-(2,6-dinaphthalen-2-ylpyrimidin-4-yl)phenyl]phenyl]-3-phenylbenzo[f]quinoline
CID 138644120
1-phenyl-3-pyridin-4-ylbenzo[f]quinoline chloride
CID 53347208
1-[3-(4,6-dinaphthalen-2-ylpyrimidin-2-yl)phenyl]-3-phenylbenzo[f]quinoline
CID 146185511
1-[4-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)naphthalen-1-yl]phenyl]-3-phenylbenzo[f]quinoline
CID 146188874
3-(3,5-dimethylphenyl)-1-fluorobenzo[f]quinoline
CID 155620657
1-(4-bromophenyl)-3-pyridin-4-ylbenzo[f]quinoline
CID 2248141

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethoxyphenyl)-1-(4-fluorophenyl)benzo[f]quinoline?
The IUPAC name of 3-(3,5-dimethoxyphenyl)-1-(4-fluorophenyl)benzo[f]quinoline (CID 44613761) is 3-(3,5-dimethoxyphenyl)-1-(4-fluorophenyl)benzo[f]quinoline.
What is the SMILES notation for 3-(3,5-dimethoxyphenyl)-1-(4-fluorophenyl)benzo[f]quinoline?
The canonical SMILES for 3-(3,5-dimethoxyphenyl)-1-(4-fluorophenyl)benzo[f]quinoline is COc1cc(OC)cc(-c2cc(-c3ccc(F)cc3)c3c(ccc4ccccc43)n2)c1.
What is the InChIKey of 3-(3,5-dimethoxyphenyl)-1-(4-fluorophenyl)benzo[f]quinoline?
The InChIKey is LACIGOIRHBWTSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H20FNO2/c1-30-21-13-19(14-22(15-21)31-2)26-16-24(18-7-10-20(28)11-8-18)27-23-6-4-3-5-17(23)9-12-25(27)29-26/h3-16H,1-2H3.
What are the key properties of 3-(3,5-dimethoxyphenyl)-1-(4-fluorophenyl)benzo[f]quinoline?
3-(3,5-dimethoxyphenyl)-1-(4-fluorophenyl)benzo[f]quinoline has a molecular weight of 409.46 g/mol, XLogP of 6.88, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethoxyphenyl)-1-(4-fluorophenyl)benzo[f]quinoline is sourced from PubChem (CID 44613761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).