4-chloro-2-(3,5-difluoro-4-methylphenyl)-7-ethenylquinoline

C18H12ClF2N — CID 145292580

IUPAC4-chloro-2-(3,5-difluoro-4-methylphenyl)-7-ethenylquinoline
SMILESC=Cc1ccc2c(Cl)cc(-c3cc(F)c(C)c(F)c3)nc2c1
InChIInChI=1S/C18H12ClF2N/c1-3-11-4-5-13-14(19)9-17(22-18(13)6-11)12-7-15(20)10(2)16(21)8-12/h3-9H,1H2,2H3
InChIKeyPFINZNUDJBDSLK-UHFFFAOYSA-N
MW315.75 g/mol
LogP5.78
Rot. Bonds2

About 4-chloro-2-(3,5-difluoro-4-methylphenyl)-7-ethenylquinoline

4-chloro-2-(3,5-difluoro-4-methylphenyl)-7-ethenylquinoline (PubChem CID 145292580) has the molecular formula C18H12ClF2N and a molecular weight of 315.75 g/mol. Its IUPAC name is 4-chloro-2-(3,5-difluoro-4-methylphenyl)-7-ethenylquinoline.

Molecular Properties

Compound Name4-chloro-2-(3,5-difluoro-4-methylphenyl)-7-ethenylquinoline
PubChem CID145292580
Molecular FormulaC18H12ClF2N
Molecular Weight315.75 g/mol
Exact Mass315.06
IUPAC Name4-chloro-2-(3,5-difluoro-4-methylphenyl)-7-ethenylquinoline
SMILESC=Cc1ccc2c(Cl)cc(-c3cc(F)c(C)c(F)c3)nc2c1
InChIInChI=1S/C18H12ClF2N/c1-3-11-4-5-13-14(19)9-17(22-18(13)6-11)12-7-15(20)10(2)16(21)8-12/h3-9H,1H2,2H3
InChIKeyPFINZNUDJBDSLK-UHFFFAOYSA-N
XLogP5.78
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500315.75
LogP ≤ 55.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(3,5-difluoro-4-methylphenyl)-7-ethenylquinoline?
The IUPAC name of 4-chloro-2-(3,5-difluoro-4-methylphenyl)-7-ethenylquinoline (CID 145292580) is 4-chloro-2-(3,5-difluoro-4-methylphenyl)-7-ethenylquinoline.
What is the SMILES notation for 4-chloro-2-(3,5-difluoro-4-methylphenyl)-7-ethenylquinoline?
The canonical SMILES for 4-chloro-2-(3,5-difluoro-4-methylphenyl)-7-ethenylquinoline is C=Cc1ccc2c(Cl)cc(-c3cc(F)c(C)c(F)c3)nc2c1.
What is the InChIKey of 4-chloro-2-(3,5-difluoro-4-methylphenyl)-7-ethenylquinoline?
The InChIKey is PFINZNUDJBDSLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12ClF2N/c1-3-11-4-5-13-14(19)9-17(22-18(13)6-11)12-7-15(20)10(2)16(21)8-12/h3-9H,1H2,2H3.
What are the key properties of 4-chloro-2-(3,5-difluoro-4-methylphenyl)-7-ethenylquinoline?
4-chloro-2-(3,5-difluoro-4-methylphenyl)-7-ethenylquinoline has a molecular weight of 315.75 g/mol, XLogP of 5.78, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(3,5-difluoro-4-methylphenyl)-7-ethenylquinoline is sourced from PubChem (CID 145292580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).