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

C17H13F2NO2 — CID 10402592

IUPAC3-(3,4-difluorophenyl)-6,7-dimethoxyquinoline
SMILESCOc1cc2cc(-c3ccc(F)c(F)c3)cnc2cc1OC
InChIInChI=1S/C17H13F2NO2/c1-21-16-7-11-5-12(9-20-15(11)8-17(16)22-2)10-3-4-13(18)14(19)6-10/h3-9H,1-2H3
InChIKeyRETQZWLIOAJIRM-UHFFFAOYSA-N
MW301.29 g/mol
LogP4.20
Rot. Bonds3

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

3-(3,4-difluorophenyl)-6,7-dimethoxyquinoline (PubChem CID 10402592) has the molecular formula C17H13F2NO2 and a molecular weight of 301.29 g/mol. Its IUPAC name is 3-(3,4-difluorophenyl)-6,7-dimethoxyquinoline.

Molecular Properties

Compound Name3-(3,4-difluorophenyl)-6,7-dimethoxyquinoline
PubChem CID10402592
Molecular FormulaC17H13F2NO2
Molecular Weight301.29 g/mol
Exact Mass301.09
IUPAC Name3-(3,4-difluorophenyl)-6,7-dimethoxyquinoline
SMILESCOc1cc2cc(-c3ccc(F)c(F)c3)cnc2cc1OC
InChIInChI=1S/C17H13F2NO2/c1-21-16-7-11-5-12(9-20-15(11)8-17(16)22-2)10-3-4-13(18)14(19)6-10/h3-9H,1-2H3
InChIKeyRETQZWLIOAJIRM-UHFFFAOYSA-N
XLogP4.20
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.29
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3,4-difluorophenyl)-6,7-dimethoxyquinoline?
The IUPAC name of 3-(3,4-difluorophenyl)-6,7-dimethoxyquinoline (CID 10402592) is 3-(3,4-difluorophenyl)-6,7-dimethoxyquinoline.
What is the SMILES notation for 3-(3,4-difluorophenyl)-6,7-dimethoxyquinoline?
The canonical SMILES for 3-(3,4-difluorophenyl)-6,7-dimethoxyquinoline is COc1cc2cc(-c3ccc(F)c(F)c3)cnc2cc1OC.
What is the InChIKey of 3-(3,4-difluorophenyl)-6,7-dimethoxyquinoline?
The InChIKey is RETQZWLIOAJIRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F2NO2/c1-21-16-7-11-5-12(9-20-15(11)8-17(16)22-2)10-3-4-13(18)14(19)6-10/h3-9H,1-2H3.
What are the key properties of 3-(3,4-difluorophenyl)-6,7-dimethoxyquinoline?
3-(3,4-difluorophenyl)-6,7-dimethoxyquinoline has a molecular weight of 301.29 g/mol, XLogP of 4.20, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-difluorophenyl)-6,7-dimethoxyquinoline is sourced from PubChem (CID 10402592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).