3-(4-fluorophenyl)-6,7-dimethoxyquinoline

C17H14FNO2 — CID 10039460

IUPAC3-(4-fluorophenyl)-6,7-dimethoxyquinoline
SMILESCOc1cc2cc(-c3ccc(F)cc3)cnc2cc1OC
InChIInChI=1S/C17H14FNO2/c1-20-16-8-12-7-13(11-3-5-14(18)6-4-11)10-19-15(12)9-17(16)21-2/h3-10H,1-2H3
InChIKeyUKJTWBAIJVXDSM-UHFFFAOYSA-N
MW283.30 g/mol
LogP4.06
Rot. Bonds3

About 3-(4-fluorophenyl)-6,7-dimethoxyquinoline

3-(4-fluorophenyl)-6,7-dimethoxyquinoline (PubChem CID 10039460) has the molecular formula C17H14FNO2 and a molecular weight of 283.30 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-6,7-dimethoxyquinoline.

Molecular Properties

Compound Name3-(4-fluorophenyl)-6,7-dimethoxyquinoline
PubChem CID10039460
Molecular FormulaC17H14FNO2
Molecular Weight283.30 g/mol
Exact Mass283.10
IUPAC Name3-(4-fluorophenyl)-6,7-dimethoxyquinoline
SMILESCOc1cc2cc(-c3ccc(F)cc3)cnc2cc1OC
InChIInChI=1S/C17H14FNO2/c1-20-16-8-12-7-13(11-3-5-14(18)6-4-11)10-19-15(12)9-17(16)21-2/h3-10H,1-2H3
InChIKeyUKJTWBAIJVXDSM-UHFFFAOYSA-N
XLogP4.06
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.30
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-6,7-dimethoxyquinoline?
The IUPAC name of 3-(4-fluorophenyl)-6,7-dimethoxyquinoline (CID 10039460) is 3-(4-fluorophenyl)-6,7-dimethoxyquinoline.
What is the SMILES notation for 3-(4-fluorophenyl)-6,7-dimethoxyquinoline?
The canonical SMILES for 3-(4-fluorophenyl)-6,7-dimethoxyquinoline is COc1cc2cc(-c3ccc(F)cc3)cnc2cc1OC.
What is the InChIKey of 3-(4-fluorophenyl)-6,7-dimethoxyquinoline?
The InChIKey is UKJTWBAIJVXDSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FNO2/c1-20-16-8-12-7-13(11-3-5-14(18)6-4-11)10-19-15(12)9-17(16)21-2/h3-10H,1-2H3.
What are the key properties of 3-(4-fluorophenyl)-6,7-dimethoxyquinoline?
3-(4-fluorophenyl)-6,7-dimethoxyquinoline has a molecular weight of 283.30 g/mol, XLogP of 4.06, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-6,7-dimethoxyquinoline is sourced from PubChem (CID 10039460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).