4-[3-[(2-methoxyphenyl)methoxy]phenyl]-3-phenyl-8-(trifluoromethyl)quinoline

C30H22F3NO2 — CID 66914261

IUPAC4-[3-[(2-methoxyphenyl)methoxy]phenyl]-3-phenyl-8-(trifluoromethyl)quinoline
SMILESCOc1ccccc1COc1cccc(-c2c(-c3ccccc3)cnc3c(C(F)(F)F)cccc23)c1
InChIInChI=1S/C30H22F3NO2/c1-35-27-16-6-5-11-22(27)19-36-23-13-7-12-21(17-23)28-24-14-8-15-26(30(31,32)33)29(24)34-18-25(28)20-9-3-2-4-10-20/h2-18H,19H2,1H3
InChIKeyWQAUEENITSGLJS-UHFFFAOYSA-N
MW485.51 g/mol
LogP8.18
Rot. Bonds6

About 4-[3-[(2-methoxyphenyl)methoxy]phenyl]-3-phenyl-8-(trifluoromethyl)quinoline

4-[3-[(2-methoxyphenyl)methoxy]phenyl]-3-phenyl-8-(trifluoromethyl)quinoline (PubChem CID 66914261) has the molecular formula C30H22F3NO2 and a molecular weight of 485.51 g/mol. Its IUPAC name is 4-[3-[(2-methoxyphenyl)methoxy]phenyl]-3-phenyl-8-(trifluoromethyl)quinoline.

Molecular Properties

Compound Name4-[3-[(2-methoxyphenyl)methoxy]phenyl]-3-phenyl-8-(trifluoromethyl)quinoline
PubChem CID66914261
Molecular FormulaC30H22F3NO2
Molecular Weight485.51 g/mol
Exact Mass485.16
IUPAC Name4-[3-[(2-methoxyphenyl)methoxy]phenyl]-3-phenyl-8-(trifluoromethyl)quinoline
SMILESCOc1ccccc1COc1cccc(-c2c(-c3ccccc3)cnc3c(C(F)(F)F)cccc23)c1
InChIInChI=1S/C30H22F3NO2/c1-35-27-16-6-5-11-22(27)19-36-23-13-7-12-21(17-23)28-24-14-8-15-26(30(31,32)33)29(24)34-18-25(28)20-9-3-2-4-10-20/h2-18H,19H2,1H3
InChIKeyWQAUEENITSGLJS-UHFFFAOYSA-N
XLogP8.18
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.51
LogP ≤ 58.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[3-[(2-methoxyphenyl)methoxy]phenyl]-3-phenyl-8-(trifluoromethyl)quinoline?
The IUPAC name of 4-[3-[(2-methoxyphenyl)methoxy]phenyl]-3-phenyl-8-(trifluoromethyl)quinoline (CID 66914261) is 4-[3-[(2-methoxyphenyl)methoxy]phenyl]-3-phenyl-8-(trifluoromethyl)quinoline.
What is the SMILES notation for 4-[3-[(2-methoxyphenyl)methoxy]phenyl]-3-phenyl-8-(trifluoromethyl)quinoline?
The canonical SMILES for 4-[3-[(2-methoxyphenyl)methoxy]phenyl]-3-phenyl-8-(trifluoromethyl)quinoline is COc1ccccc1COc1cccc(-c2c(-c3ccccc3)cnc3c(C(F)(F)F)cccc23)c1.
What is the InChIKey of 4-[3-[(2-methoxyphenyl)methoxy]phenyl]-3-phenyl-8-(trifluoromethyl)quinoline?
The InChIKey is WQAUEENITSGLJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H22F3NO2/c1-35-27-16-6-5-11-22(27)19-36-23-13-7-12-21(17-23)28-24-14-8-15-26(30(31,32)33)29(24)34-18-25(28)20-9-3-2-4-10-20/h2-18H,19H2,1H3.
What are the key properties of 4-[3-[(2-methoxyphenyl)methoxy]phenyl]-3-phenyl-8-(trifluoromethyl)quinoline?
4-[3-[(2-methoxyphenyl)methoxy]phenyl]-3-phenyl-8-(trifluoromethyl)quinoline has a molecular weight of 485.51 g/mol, XLogP of 8.18, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[(2-methoxyphenyl)methoxy]phenyl]-3-phenyl-8-(trifluoromethyl)quinoline is sourced from PubChem (CID 66914261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).