4-chloro-8-fluoro-2,3,5-trimethylquinoline

C12H11ClFN — CID 60996951

IUPAC4-chloro-8-fluoro-2,3,5-trimethylquinoline
SMILESCc1nc2c(F)ccc(C)c2c(Cl)c1C
InChIInChI=1S/C12H11ClFN/c1-6-4-5-9(14)12-10(6)11(13)7(2)8(3)15-12/h4-5H,1-3H3
InChIKeyBCZRSTDUYRDJJS-UHFFFAOYSA-N
MW223.68 g/mol
LogP3.95
Rot. Bonds

About 4-chloro-8-fluoro-2,3,5-trimethylquinoline

4-chloro-8-fluoro-2,3,5-trimethylquinoline (PubChem CID 60996951) has the molecular formula C12H11ClFN and a molecular weight of 223.68 g/mol. Its IUPAC name is 4-chloro-8-fluoro-2,3,5-trimethylquinoline.

Molecular Properties

Compound Name4-chloro-8-fluoro-2,3,5-trimethylquinoline
PubChem CID60996951
Molecular FormulaC12H11ClFN
Molecular Weight223.68 g/mol
Exact Mass223.06
IUPAC Name4-chloro-8-fluoro-2,3,5-trimethylquinoline
SMILESCc1nc2c(F)ccc(C)c2c(Cl)c1C
InChIInChI=1S/C12H11ClFN/c1-6-4-5-9(14)12-10(6)11(13)7(2)8(3)15-12/h4-5H,1-3H3
InChIKeyBCZRSTDUYRDJJS-UHFFFAOYSA-N
XLogP3.95
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.68
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(8-fluoro-2,3,5-trimethylquinolin-4-yl)hydrazine
CID 62252075
2,4-dichloro-8-fluoro-5-methylquinoline
CID 121399116
4-chloro-8-fluoro-2,3-dimethylquinoline
CID 60994965
2-chloro-5-fluoro-4,8-dimethylquinazoline
CID 130051303
2-chloro-8-fluoro-N,5-dimethylquinazolin-4-amine
CID 114693468
4-chloro-5-fluoro-3,8-dimethyl-2-pyridin-2-ylquinoline
CID 59631265
4,5-dichloro-3-ethyl-8-fluoro-2-methylquinoline
CID 63408775
4,5-dichloro-2-ethyl-8-fluoro-3-methylquinoline
CID 63561489
4-chloro-8-fluoro-5-methylquinazoline
CID 104782222
4-chloro-5-fluoro-3,8-dimethylquinoline
CID 171373227
4-chloro-2-(3-chloro-2-methylphenyl)-8-fluoro-5-methylquinazoline
CID 107096285
4-bromo-5,8-difluoro-3-iodo-2-methylquinoline
CID 121236811

Frequently Asked Questions

What is the IUPAC name of 4-chloro-8-fluoro-2,3,5-trimethylquinoline?
The IUPAC name of 4-chloro-8-fluoro-2,3,5-trimethylquinoline (CID 60996951) is 4-chloro-8-fluoro-2,3,5-trimethylquinoline.
What is the SMILES notation for 4-chloro-8-fluoro-2,3,5-trimethylquinoline?
The canonical SMILES for 4-chloro-8-fluoro-2,3,5-trimethylquinoline is Cc1nc2c(F)ccc(C)c2c(Cl)c1C.
What is the InChIKey of 4-chloro-8-fluoro-2,3,5-trimethylquinoline?
The InChIKey is BCZRSTDUYRDJJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClFN/c1-6-4-5-9(14)12-10(6)11(13)7(2)8(3)15-12/h4-5H,1-3H3.
What are the key properties of 4-chloro-8-fluoro-2,3,5-trimethylquinoline?
4-chloro-8-fluoro-2,3,5-trimethylquinoline has a molecular weight of 223.68 g/mol, XLogP of 3.95, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-8-fluoro-2,3,5-trimethylquinoline is sourced from PubChem (CID 60996951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).