2-(2,4-difluorophenoxy)-4,8-dimethylquinoline

C17H13F2NO — CID 3838364

IUPAC2-(2,4-difluorophenoxy)-4,8-dimethylquinoline
SMILESCc1cc(Oc2ccc(F)cc2F)nc2c(C)cccc12
InChIInChI=1S/C17H13F2NO/c1-10-4-3-5-13-11(2)8-16(20-17(10)13)21-15-7-6-12(18)9-14(15)19/h3-9H,1-2H3
InChIKeyOHHWQPLPFAGWPC-UHFFFAOYSA-N
MW285.29 g/mol
LogP4.92
Rot. Bonds2

About 2-(2,4-difluorophenoxy)-4,8-dimethylquinoline

2-(2,4-difluorophenoxy)-4,8-dimethylquinoline (PubChem CID 3838364) has the molecular formula C17H13F2NO and a molecular weight of 285.29 g/mol. Its IUPAC name is 2-(2,4-difluorophenoxy)-4,8-dimethylquinoline.

Molecular Properties

Compound Name2-(2,4-difluorophenoxy)-4,8-dimethylquinoline
PubChem CID3838364
Molecular FormulaC17H13F2NO
Molecular Weight285.29 g/mol
Exact Mass285.10
IUPAC Name2-(2,4-difluorophenoxy)-4,8-dimethylquinoline
SMILESCc1cc(Oc2ccc(F)cc2F)nc2c(C)cccc12
InChIInChI=1S/C17H13F2NO/c1-10-4-3-5-13-11(2)8-16(20-17(10)13)21-15-7-6-12(18)9-14(15)19/h3-9H,1-2H3
InChIKeyOHHWQPLPFAGWPC-UHFFFAOYSA-N
XLogP4.92
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.29
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorophenoxy)-4,8-dimethylquinoline?
The IUPAC name of 2-(2,4-difluorophenoxy)-4,8-dimethylquinoline (CID 3838364) is 2-(2,4-difluorophenoxy)-4,8-dimethylquinoline.
What is the SMILES notation for 2-(2,4-difluorophenoxy)-4,8-dimethylquinoline?
The canonical SMILES for 2-(2,4-difluorophenoxy)-4,8-dimethylquinoline is Cc1cc(Oc2ccc(F)cc2F)nc2c(C)cccc12.
What is the InChIKey of 2-(2,4-difluorophenoxy)-4,8-dimethylquinoline?
The InChIKey is OHHWQPLPFAGWPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F2NO/c1-10-4-3-5-13-11(2)8-16(20-17(10)13)21-15-7-6-12(18)9-14(15)19/h3-9H,1-2H3.
What are the key properties of 2-(2,4-difluorophenoxy)-4,8-dimethylquinoline?
2-(2,4-difluorophenoxy)-4,8-dimethylquinoline has a molecular weight of 285.29 g/mol, XLogP of 4.92, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluorophenoxy)-4,8-dimethylquinoline is sourced from PubChem (CID 3838364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).