4,6-dichloro-3-[4-[2-fluoro-4-(trifluoromethyl)phenyl]phenyl]-7-methoxy-2-methylquinoline

C24H15Cl2F4NO — CID 170432391

IUPAC4,6-dichloro-3-[4-[2-fluoro-4-(trifluoromethyl)phenyl]phenyl]-7-methoxy-2-methylquinoline
SMILESCOc1cc2nc(C)c(-c3ccc(-c4ccc(C(F)(F)F)cc4F)cc3)c(Cl)c2cc1Cl
InChIInChI=1S/C24H15Cl2F4NO/c1-12-22(23(26)17-10-18(25)21(32-2)11-20(17)31-12)14-5-3-13(4-6-14)16-8-7-15(9-19(16)27)24(28,29)30/h3-11H,1-2H3
InChIKeyYQJFABXDAAICRH-UHFFFAOYSA-N
MW480.29 g/mol
LogP8.35
Rot. Bonds3

About 4,6-dichloro-3-[4-[2-fluoro-4-(trifluoromethyl)phenyl]phenyl]-7-methoxy-2-methylquinoline

4,6-dichloro-3-[4-[2-fluoro-4-(trifluoromethyl)phenyl]phenyl]-7-methoxy-2-methylquinoline (PubChem CID 170432391) has the molecular formula C24H15Cl2F4NO and a molecular weight of 480.29 g/mol. Its IUPAC name is 4,6-dichloro-3-[4-[2-fluoro-4-(trifluoromethyl)phenyl]phenyl]-7-methoxy-2-methylquinoline.

Molecular Properties

Compound Name4,6-dichloro-3-[4-[2-fluoro-4-(trifluoromethyl)phenyl]phenyl]-7-methoxy-2-methylquinoline
PubChem CID170432391
Molecular FormulaC24H15Cl2F4NO
Molecular Weight480.29 g/mol
Exact Mass479.05
IUPAC Name4,6-dichloro-3-[4-[2-fluoro-4-(trifluoromethyl)phenyl]phenyl]-7-methoxy-2-methylquinoline
SMILESCOc1cc2nc(C)c(-c3ccc(-c4ccc(C(F)(F)F)cc4F)cc3)c(Cl)c2cc1Cl
InChIInChI=1S/C24H15Cl2F4NO/c1-12-22(23(26)17-10-18(25)21(32-2)11-20(17)31-12)14-5-3-13(4-6-14)16-8-7-15(9-19(16)27)24(28,29)30/h3-11H,1-2H3
InChIKeyYQJFABXDAAICRH-UHFFFAOYSA-N
XLogP8.35
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.29
LogP ≤ 58.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-3-[4-[2-fluoro-4-(trifluoromethyl)phenyl]phenyl]-7-methoxy-2-methylquinoline?
The IUPAC name of 4,6-dichloro-3-[4-[2-fluoro-4-(trifluoromethyl)phenyl]phenyl]-7-methoxy-2-methylquinoline (CID 170432391) is 4,6-dichloro-3-[4-[2-fluoro-4-(trifluoromethyl)phenyl]phenyl]-7-methoxy-2-methylquinoline.
What is the SMILES notation for 4,6-dichloro-3-[4-[2-fluoro-4-(trifluoromethyl)phenyl]phenyl]-7-methoxy-2-methylquinoline?
The canonical SMILES for 4,6-dichloro-3-[4-[2-fluoro-4-(trifluoromethyl)phenyl]phenyl]-7-methoxy-2-methylquinoline is COc1cc2nc(C)c(-c3ccc(-c4ccc(C(F)(F)F)cc4F)cc3)c(Cl)c2cc1Cl.
What is the InChIKey of 4,6-dichloro-3-[4-[2-fluoro-4-(trifluoromethyl)phenyl]phenyl]-7-methoxy-2-methylquinoline?
The InChIKey is YQJFABXDAAICRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15Cl2F4NO/c1-12-22(23(26)17-10-18(25)21(32-2)11-20(17)31-12)14-5-3-13(4-6-14)16-8-7-15(9-19(16)27)24(28,29)30/h3-11H,1-2H3.
What are the key properties of 4,6-dichloro-3-[4-[2-fluoro-4-(trifluoromethyl)phenyl]phenyl]-7-methoxy-2-methylquinoline?
4,6-dichloro-3-[4-[2-fluoro-4-(trifluoromethyl)phenyl]phenyl]-7-methoxy-2-methylquinoline has a molecular weight of 480.29 g/mol, XLogP of 8.35, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-3-[4-[2-fluoro-4-(trifluoromethyl)phenyl]phenyl]-7-methoxy-2-methylquinoline is sourced from PubChem (CID 170432391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).