4,6-dichloro-7-methoxy-3-[4-[2-methoxy-5-(trifluoromethoxy)phenyl]phenyl]-2-methylquinoline

C25H18Cl2F3NO3 — CID 170432212

IUPAC4,6-dichloro-7-methoxy-3-[4-[2-methoxy-5-(trifluoromethoxy)phenyl]phenyl]-2-methylquinoline
SMILESCOc1cc2nc(C)c(-c3ccc(-c4cc(OC(F)(F)F)ccc4OC)cc3)c(Cl)c2cc1Cl
InChIInChI=1S/C25H18Cl2F3NO3/c1-13-23(24(27)18-11-19(26)22(33-3)12-20(18)31-13)15-6-4-14(5-7-15)17-10-16(34-25(28,29)30)8-9-21(17)32-2/h4-12H,1-3H3
InChIKeyLQYJZQMBQNCQPC-UHFFFAOYSA-N
MW508.32 g/mol
LogP8.10
Rot. Bonds5

About 4,6-dichloro-7-methoxy-3-[4-[2-methoxy-5-(trifluoromethoxy)phenyl]phenyl]-2-methylquinoline

4,6-dichloro-7-methoxy-3-[4-[2-methoxy-5-(trifluoromethoxy)phenyl]phenyl]-2-methylquinoline (PubChem CID 170432212) has the molecular formula C25H18Cl2F3NO3 and a molecular weight of 508.32 g/mol. Its IUPAC name is 4,6-dichloro-7-methoxy-3-[4-[2-methoxy-5-(trifluoromethoxy)phenyl]phenyl]-2-methylquinoline.

Molecular Properties

Compound Name4,6-dichloro-7-methoxy-3-[4-[2-methoxy-5-(trifluoromethoxy)phenyl]phenyl]-2-methylquinoline
PubChem CID170432212
Molecular FormulaC25H18Cl2F3NO3
Molecular Weight508.32 g/mol
Exact Mass507.06
IUPAC Name4,6-dichloro-7-methoxy-3-[4-[2-methoxy-5-(trifluoromethoxy)phenyl]phenyl]-2-methylquinoline
SMILESCOc1cc2nc(C)c(-c3ccc(-c4cc(OC(F)(F)F)ccc4OC)cc3)c(Cl)c2cc1Cl
InChIInChI=1S/C25H18Cl2F3NO3/c1-13-23(24(27)18-11-19(26)22(33-3)12-20(18)31-13)15-6-4-14(5-7-15)17-10-16(34-25(28,29)30)8-9-21(17)32-2/h4-12H,1-3H3
InChIKeyLQYJZQMBQNCQPC-UHFFFAOYSA-N
XLogP8.10
TPSA40.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.32
LogP ≤ 58.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-7-methoxy-3-[4-[2-methoxy-5-(trifluoromethoxy)phenyl]phenyl]-2-methylquinoline?
The IUPAC name of 4,6-dichloro-7-methoxy-3-[4-[2-methoxy-5-(trifluoromethoxy)phenyl]phenyl]-2-methylquinoline (CID 170432212) is 4,6-dichloro-7-methoxy-3-[4-[2-methoxy-5-(trifluoromethoxy)phenyl]phenyl]-2-methylquinoline.
What is the SMILES notation for 4,6-dichloro-7-methoxy-3-[4-[2-methoxy-5-(trifluoromethoxy)phenyl]phenyl]-2-methylquinoline?
The canonical SMILES for 4,6-dichloro-7-methoxy-3-[4-[2-methoxy-5-(trifluoromethoxy)phenyl]phenyl]-2-methylquinoline is COc1cc2nc(C)c(-c3ccc(-c4cc(OC(F)(F)F)ccc4OC)cc3)c(Cl)c2cc1Cl.
What is the InChIKey of 4,6-dichloro-7-methoxy-3-[4-[2-methoxy-5-(trifluoromethoxy)phenyl]phenyl]-2-methylquinoline?
The InChIKey is LQYJZQMBQNCQPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18Cl2F3NO3/c1-13-23(24(27)18-11-19(26)22(33-3)12-20(18)31-13)15-6-4-14(5-7-15)17-10-16(34-25(28,29)30)8-9-21(17)32-2/h4-12H,1-3H3.
What are the key properties of 4,6-dichloro-7-methoxy-3-[4-[2-methoxy-5-(trifluoromethoxy)phenyl]phenyl]-2-methylquinoline?
4,6-dichloro-7-methoxy-3-[4-[2-methoxy-5-(trifluoromethoxy)phenyl]phenyl]-2-methylquinoline has a molecular weight of 508.32 g/mol, XLogP of 8.10, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-7-methoxy-3-[4-[2-methoxy-5-(trifluoromethoxy)phenyl]phenyl]-2-methylquinoline is sourced from PubChem (CID 170432212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).