4,7-dichloro-6-methoxy-3-(trifluoromethyl)quinoline

C11H6Cl2F3NO — CID 622011

IUPAC4,7-dichloro-6-methoxy-3-(trifluoromethyl)quinoline
SMILESCOc1cc2c(Cl)c(C(F)(F)F)cnc2cc1Cl
InChIInChI=1S/C11H6Cl2F3NO/c1-18-9-2-5-8(3-7(9)12)17-4-6(10(5)13)11(14,15)16/h2-4H,1H3
InChIKeyQWANEXPBQMMZCS-UHFFFAOYSA-N
MW296.08 g/mol
LogP4.57
Rot. Bonds1

About 4,7-dichloro-6-methoxy-3-(trifluoromethyl)quinoline

4,7-dichloro-6-methoxy-3-(trifluoromethyl)quinoline (PubChem CID 622011) has the molecular formula C11H6Cl2F3NO and a molecular weight of 296.08 g/mol. Its IUPAC name is 4,7-dichloro-6-methoxy-3-(trifluoromethyl)quinoline.

Molecular Properties

Compound Name4,7-dichloro-6-methoxy-3-(trifluoromethyl)quinoline
PubChem CID622011
Molecular FormulaC11H6Cl2F3NO
Molecular Weight296.08 g/mol
Exact Mass294.98
IUPAC Name4,7-dichloro-6-methoxy-3-(trifluoromethyl)quinoline
SMILESCOc1cc2c(Cl)c(C(F)(F)F)cnc2cc1Cl
InChIInChI=1S/C11H6Cl2F3NO/c1-18-9-2-5-8(3-7(9)12)17-4-6(10(5)13)11(14,15)16/h2-4H,1H3
InChIKeyQWANEXPBQMMZCS-UHFFFAOYSA-N
XLogP4.57
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.08
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,7-dichloro-6-methoxy-3-(trifluoromethyl)quinoline?
The IUPAC name of 4,7-dichloro-6-methoxy-3-(trifluoromethyl)quinoline (CID 622011) is 4,7-dichloro-6-methoxy-3-(trifluoromethyl)quinoline.
What is the SMILES notation for 4,7-dichloro-6-methoxy-3-(trifluoromethyl)quinoline?
The canonical SMILES for 4,7-dichloro-6-methoxy-3-(trifluoromethyl)quinoline is COc1cc2c(Cl)c(C(F)(F)F)cnc2cc1Cl.
What is the InChIKey of 4,7-dichloro-6-methoxy-3-(trifluoromethyl)quinoline?
The InChIKey is QWANEXPBQMMZCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6Cl2F3NO/c1-18-9-2-5-8(3-7(9)12)17-4-6(10(5)13)11(14,15)16/h2-4H,1H3.
What are the key properties of 4,7-dichloro-6-methoxy-3-(trifluoromethyl)quinoline?
4,7-dichloro-6-methoxy-3-(trifluoromethyl)quinoline has a molecular weight of 296.08 g/mol, XLogP of 4.57, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7-dichloro-6-methoxy-3-(trifluoromethyl)quinoline is sourced from PubChem (CID 622011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).