4,8-dichloro-5-methoxy-3-methyl-2-(trifluoromethyl)quinoline

C12H8Cl2F3NO — CID 63744411

IUPAC4,8-dichloro-5-methoxy-3-methyl-2-(trifluoromethyl)quinoline
SMILESCOc1ccc(Cl)c2nc(C(F)(F)F)c(C)c(Cl)c12
InChIInChI=1S/C12H8Cl2F3NO/c1-5-9(14)8-7(19-2)4-3-6(13)10(8)18-11(5)12(15,16)17/h3-4H,1-2H3
InChIKeyHGRULMUKZAXTAN-UHFFFAOYSA-N
MW310.10 g/mol
LogP4.88
Rot. Bonds1

About 4,8-dichloro-5-methoxy-3-methyl-2-(trifluoromethyl)quinoline

4,8-dichloro-5-methoxy-3-methyl-2-(trifluoromethyl)quinoline (PubChem CID 63744411) has the molecular formula C12H8Cl2F3NO and a molecular weight of 310.10 g/mol. Its IUPAC name is 4,8-dichloro-5-methoxy-3-methyl-2-(trifluoromethyl)quinoline.

Molecular Properties

Compound Name4,8-dichloro-5-methoxy-3-methyl-2-(trifluoromethyl)quinoline
PubChem CID63744411
Molecular FormulaC12H8Cl2F3NO
Molecular Weight310.10 g/mol
Exact Mass308.99
IUPAC Name4,8-dichloro-5-methoxy-3-methyl-2-(trifluoromethyl)quinoline
SMILESCOc1ccc(Cl)c2nc(C(F)(F)F)c(C)c(Cl)c12
InChIInChI=1S/C12H8Cl2F3NO/c1-5-9(14)8-7(19-2)4-3-6(13)10(8)18-11(5)12(15,16)17/h3-4H,1-2H3
InChIKeyHGRULMUKZAXTAN-UHFFFAOYSA-N
XLogP4.88
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.10
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

8-chloro-5-methoxy-3-methyl-2-(trifluoromethyl)quinolin-4-amine
CID 63744590
5-chloro-8-methoxy-N,3-dimethyl-2-(trifluoromethyl)quinolin-4-amine
CID 63743220
5-bromo-8-chloro-3-methyl-2-(trifluoromethyl)quinolin-4-amine
CID 63744259
8-bromo-4-chloro-3,5-dimethyl-2-(trifluoromethyl)quinoline
CID 82766418
4-chloro-5,7,8-trifluoro-3-methyl-2-(trifluoromethyl)quinoline
CID 63744575
(8-chloro-5-methoxy-2,3-dimethylquinolin-4-yl)hydrazine
CID 62251551
8-chloro-5-methoxy-N,4-dimethylquinolin-2-amine
CID 84628644
5-chloro-3,8-dimethyl-2-(trifluoromethyl)quinolin-4-amine
CID 55230313
4-chloro-8-methoxy-5-methyl-2-(trifluoromethyl)quinoline
CID 43668583
3-chloro-6-(3,4-difluoro-2-methylphenoxy)-2-(trifluoromethyl)pyridine
CID 175955629
4-chloro-6,8-difluoro-3-methyl-2-(trifluoromethyl)quinoline
CID 63743382
2-tert-butyl-4-chloro-5,8-dimethoxyquinoline
CID 43668703

Frequently Asked Questions

What is the IUPAC name of 4,8-dichloro-5-methoxy-3-methyl-2-(trifluoromethyl)quinoline?
The IUPAC name of 4,8-dichloro-5-methoxy-3-methyl-2-(trifluoromethyl)quinoline (CID 63744411) is 4,8-dichloro-5-methoxy-3-methyl-2-(trifluoromethyl)quinoline.
What is the SMILES notation for 4,8-dichloro-5-methoxy-3-methyl-2-(trifluoromethyl)quinoline?
The canonical SMILES for 4,8-dichloro-5-methoxy-3-methyl-2-(trifluoromethyl)quinoline is COc1ccc(Cl)c2nc(C(F)(F)F)c(C)c(Cl)c12.
What is the InChIKey of 4,8-dichloro-5-methoxy-3-methyl-2-(trifluoromethyl)quinoline?
The InChIKey is HGRULMUKZAXTAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Cl2F3NO/c1-5-9(14)8-7(19-2)4-3-6(13)10(8)18-11(5)12(15,16)17/h3-4H,1-2H3.
What are the key properties of 4,8-dichloro-5-methoxy-3-methyl-2-(trifluoromethyl)quinoline?
4,8-dichloro-5-methoxy-3-methyl-2-(trifluoromethyl)quinoline has a molecular weight of 310.10 g/mol, XLogP of 4.88, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,8-dichloro-5-methoxy-3-methyl-2-(trifluoromethyl)quinoline is sourced from PubChem (CID 63744411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).