4,5-dichloro-3-ethyl-8-fluoro-2-methylquinoline

C12H10Cl2FN — CID 63408775

IUPAC4,5-dichloro-3-ethyl-8-fluoro-2-methylquinoline
SMILESCCc1c(C)nc2c(F)ccc(Cl)c2c1Cl
InChIInChI=1S/C12H10Cl2FN/c1-3-7-6(2)16-12-9(15)5-4-8(13)10(12)11(7)14/h4-5H,3H2,1-2H3
InChIKeyVLUBXSMKJNFOAB-UHFFFAOYSA-N
MW258.12 g/mol
LogP4.55
Rot. Bonds1

About 4,5-dichloro-3-ethyl-8-fluoro-2-methylquinoline

4,5-dichloro-3-ethyl-8-fluoro-2-methylquinoline (PubChem CID 63408775) has the molecular formula C12H10Cl2FN and a molecular weight of 258.12 g/mol. Its IUPAC name is 4,5-dichloro-3-ethyl-8-fluoro-2-methylquinoline.

Molecular Properties

Compound Name4,5-dichloro-3-ethyl-8-fluoro-2-methylquinoline
PubChem CID63408775
Molecular FormulaC12H10Cl2FN
Molecular Weight258.12 g/mol
Exact Mass257.02
IUPAC Name4,5-dichloro-3-ethyl-8-fluoro-2-methylquinoline
SMILESCCc1c(C)nc2c(F)ccc(Cl)c2c1Cl
InChIInChI=1S/C12H10Cl2FN/c1-3-7-6(2)16-12-9(15)5-4-8(13)10(12)11(7)14/h4-5H,3H2,1-2H3
InChIKeyVLUBXSMKJNFOAB-UHFFFAOYSA-N
XLogP4.55
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.12
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

8-bromo-4-chloro-3-ethyl-5-fluoro-2-methylquinoline
CID 107628279
4,5-dichloro-2-ethyl-8-fluoro-3-methylquinoline
CID 63561489
4-chloro-3-ethyl-5,8-difluoro-2,6-dimethylquinoline
CID 103587093
4-chloro-3-ethyl-5,7,8-trifluoro-2-methylquinoline
CID 62814106
8-chloro-3-ethyl-5-fluoro-N,2-dimethylquinolin-4-amine
CID 107531258
(5,8-dichloro-3-ethyl-2-methylquinolin-4-yl)hydrazine
CID 63483882
(5-bromo-3-ethyl-8-fluoro-2-methylquinolin-4-yl)hydrazine
CID 62250940
4-chloro-8-fluoro-2,3,5-trimethylquinoline
CID 60996951
8-chloro-3-ethyl-2,5-dimethylquinolin-4-amine
CID 107628661
7,8-dichloro-3-ethyl-2-methylquinolin-4-amine
CID 62203586
5,8-dichloro-3-ethyl-2-methyl-N-propylquinolin-4-amine
CID 55196144
6-chloro-3-ethyl-8-fluoro-2-methylquinolin-4-amine
CID 62203950

Frequently Asked Questions

What is the IUPAC name of 4,5-dichloro-3-ethyl-8-fluoro-2-methylquinoline?
The IUPAC name of 4,5-dichloro-3-ethyl-8-fluoro-2-methylquinoline (CID 63408775) is 4,5-dichloro-3-ethyl-8-fluoro-2-methylquinoline.
What is the SMILES notation for 4,5-dichloro-3-ethyl-8-fluoro-2-methylquinoline?
The canonical SMILES for 4,5-dichloro-3-ethyl-8-fluoro-2-methylquinoline is CCc1c(C)nc2c(F)ccc(Cl)c2c1Cl.
What is the InChIKey of 4,5-dichloro-3-ethyl-8-fluoro-2-methylquinoline?
The InChIKey is VLUBXSMKJNFOAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Cl2FN/c1-3-7-6(2)16-12-9(15)5-4-8(13)10(12)11(7)14/h4-5H,3H2,1-2H3.
What are the key properties of 4,5-dichloro-3-ethyl-8-fluoro-2-methylquinoline?
4,5-dichloro-3-ethyl-8-fluoro-2-methylquinoline has a molecular weight of 258.12 g/mol, XLogP of 4.55, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dichloro-3-ethyl-8-fluoro-2-methylquinoline is sourced from PubChem (CID 63408775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).