4-chloro-3-ethyl-5,8-difluoro-2,6-dimethylquinoline

C13H12ClF2N — CID 103587093

IUPAC4-chloro-3-ethyl-5,8-difluoro-2,6-dimethylquinoline
SMILESCCc1c(C)nc2c(F)cc(C)c(F)c2c1Cl
InChIInChI=1S/C13H12ClF2N/c1-4-8-7(3)17-13-9(15)5-6(2)12(16)10(13)11(8)14/h5H,4H2,1-3H3
InChIKeyRMRDQBKMQOTPAL-UHFFFAOYSA-N
MW255.69 g/mol
LogP4.35
Rot. Bonds1

About 4-chloro-3-ethyl-5,8-difluoro-2,6-dimethylquinoline

4-chloro-3-ethyl-5,8-difluoro-2,6-dimethylquinoline (PubChem CID 103587093) has the molecular formula C13H12ClF2N and a molecular weight of 255.69 g/mol. Its IUPAC name is 4-chloro-3-ethyl-5,8-difluoro-2,6-dimethylquinoline.

Molecular Properties

Compound Name4-chloro-3-ethyl-5,8-difluoro-2,6-dimethylquinoline
PubChem CID103587093
Molecular FormulaC13H12ClF2N
Molecular Weight255.69 g/mol
Exact Mass255.06
IUPAC Name4-chloro-3-ethyl-5,8-difluoro-2,6-dimethylquinoline
SMILESCCc1c(C)nc2c(F)cc(C)c(F)c2c1Cl
InChIInChI=1S/C13H12ClF2N/c1-4-8-7(3)17-13-9(15)5-6(2)12(16)10(13)11(8)14/h5H,4H2,1-3H3
InChIKeyRMRDQBKMQOTPAL-UHFFFAOYSA-N
XLogP4.35
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.69
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-chloro-3-ethyl-5,7,8-trifluoro-2-methylquinoline
CID 62814106
4,5-dichloro-3-ethyl-8-fluoro-2-methylquinoline
CID 63408775
8-bromo-4-chloro-3-ethyl-5-fluoro-2-methylquinoline
CID 107628279
6-chloro-3-ethyl-8-fluoro-2-methylquinolin-4-amine
CID 62203950
4-chloro-3-ethyl-7-fluoro-2,6-dimethylquinoline
CID 103996076
5,8-difluoro-2,3,6-trimethyl-N-propylquinolin-4-amine
CID 103587346
4-chloro-5,6,8-trifluoro-2-methyl-3-propan-2-ylquinoline
CID 63409285
4-chloro-3-ethyl-6-fluoro-8-methoxy-2-methylquinoline
CID 54967653
5-bromo-N,3-diethyl-6-fluoro-2,8-dimethylquinolin-4-amine
CID 107593975
4,8-dichloro-3-ethyl-6-iodo-2-methylquinoline
CID 107607583
8-chloro-3-ethyl-5-fluoro-N,2-dimethylquinolin-4-amine
CID 107531258
N,3-diethyl-6,8-difluoro-2-methylquinolin-4-amine
CID 62196110

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-ethyl-5,8-difluoro-2,6-dimethylquinoline?
The IUPAC name of 4-chloro-3-ethyl-5,8-difluoro-2,6-dimethylquinoline (CID 103587093) is 4-chloro-3-ethyl-5,8-difluoro-2,6-dimethylquinoline.
What is the SMILES notation for 4-chloro-3-ethyl-5,8-difluoro-2,6-dimethylquinoline?
The canonical SMILES for 4-chloro-3-ethyl-5,8-difluoro-2,6-dimethylquinoline is CCc1c(C)nc2c(F)cc(C)c(F)c2c1Cl.
What is the InChIKey of 4-chloro-3-ethyl-5,8-difluoro-2,6-dimethylquinoline?
The InChIKey is RMRDQBKMQOTPAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClF2N/c1-4-8-7(3)17-13-9(15)5-6(2)12(16)10(13)11(8)14/h5H,4H2,1-3H3.
What are the key properties of 4-chloro-3-ethyl-5,8-difluoro-2,6-dimethylquinoline?
4-chloro-3-ethyl-5,8-difluoro-2,6-dimethylquinoline has a molecular weight of 255.69 g/mol, XLogP of 4.35, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-ethyl-5,8-difluoro-2,6-dimethylquinoline is sourced from PubChem (CID 103587093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).