4-chloro-7,8-difluoro-6-methoxy-3-methylquinoline

C11H8ClF2NO — CID 171373414

IUPAC4-chloro-7,8-difluoro-6-methoxy-3-methylquinoline
SMILESCOc1cc2c(Cl)c(C)cnc2c(F)c1F
InChIInChI=1S/C11H8ClF2NO/c1-5-4-15-11-6(8(5)12)3-7(16-2)9(13)10(11)14/h3-4H,1-2H3
InChIKeyFEFUMJWXCUBVAZ-UHFFFAOYSA-N
MW243.64 g/mol
LogP3.48
Rot. Bonds1

About 4-chloro-7,8-difluoro-6-methoxy-3-methylquinoline

4-chloro-7,8-difluoro-6-methoxy-3-methylquinoline (PubChem CID 171373414) has the molecular formula C11H8ClF2NO and a molecular weight of 243.64 g/mol. Its IUPAC name is 4-chloro-7,8-difluoro-6-methoxy-3-methylquinoline.

Molecular Properties

Compound Name4-chloro-7,8-difluoro-6-methoxy-3-methylquinoline
PubChem CID171373414
Molecular FormulaC11H8ClF2NO
Molecular Weight243.64 g/mol
Exact Mass243.03
IUPAC Name4-chloro-7,8-difluoro-6-methoxy-3-methylquinoline
SMILESCOc1cc2c(Cl)c(C)cnc2c(F)c1F
InChIInChI=1S/C11H8ClF2NO/c1-5-4-15-11-6(8(5)12)3-7(16-2)9(13)10(11)14/h3-4H,1-2H3
InChIKeyFEFUMJWXCUBVAZ-UHFFFAOYSA-N
XLogP3.48
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.64
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4,6-dichloro-8-methoxy-3-methylquinoline
CID 171373411
4,6,7-trichloro-8-fluoro-3-methylquinoline
CID 171373330
4-chloro-6,8-difluoro-3,7-dimethylquinoline
CID 171373268
4-chloro-6-methoxy-3,8-dimethylquinoline
CID 171373217
4,8-dichloro-7-methoxy-3-methylquinoline
CID 171373308
8-bromo-4-chloro-6,7-difluoro-3-methylquinoline
CID 171373376
4-chloro-6-methoxy-3-methyl-7-(trifluoromethyl)quinoline
CID 171373255
4-chloro-6-fluoro-3,7-dimethylquinolin-8-amine
CID 125425900
7-bromo-4-chloro-6-fluoro-3-methylquinolin-8-amine
CID 125426292
6-bromo-4-chloro-3-methyl-8-(trifluoromethoxy)quinoline
CID 171373322
4-chloro-3,6,7-trimethylquinoline
CID 131861534
2-fluoro-5-methoxy-4-methylpyridine
CID 74891147

Frequently Asked Questions

What is the IUPAC name of 4-chloro-7,8-difluoro-6-methoxy-3-methylquinoline?
The IUPAC name of 4-chloro-7,8-difluoro-6-methoxy-3-methylquinoline (CID 171373414) is 4-chloro-7,8-difluoro-6-methoxy-3-methylquinoline.
What is the SMILES notation for 4-chloro-7,8-difluoro-6-methoxy-3-methylquinoline?
The canonical SMILES for 4-chloro-7,8-difluoro-6-methoxy-3-methylquinoline is COc1cc2c(Cl)c(C)cnc2c(F)c1F.
What is the InChIKey of 4-chloro-7,8-difluoro-6-methoxy-3-methylquinoline?
The InChIKey is FEFUMJWXCUBVAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClF2NO/c1-5-4-15-11-6(8(5)12)3-7(16-2)9(13)10(11)14/h3-4H,1-2H3.
What are the key properties of 4-chloro-7,8-difluoro-6-methoxy-3-methylquinoline?
4-chloro-7,8-difluoro-6-methoxy-3-methylquinoline has a molecular weight of 243.64 g/mol, XLogP of 3.48, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-7,8-difluoro-6-methoxy-3-methylquinoline is sourced from PubChem (CID 171373414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).