3-benzyl-4-[(3-phenylmethoxyphenyl)methyl]-8-(trifluoromethyl)quinoline

C31H24F3NO — CID 141120024

IUPAC3-benzyl-4-[(3-phenylmethoxyphenyl)methyl]-8-(trifluoromethyl)quinoline
SMILESFC(F)(F)c1cccc2c(Cc3cccc(OCc4ccccc4)c3)c(Cc3ccccc3)cnc12
InChIInChI=1S/C31H24F3NO/c32-31(33,34)29-16-8-15-27-28(25(20-35-30(27)29)17-22-9-3-1-4-10-22)19-24-13-7-14-26(18-24)36-21-23-11-5-2-6-12-23/h1-16,18,20H,17,19,21H2
InChIKeyDPIJUCODYKTMRP-UHFFFAOYSA-N
MW483.53 g/mol
LogP8.01
Rot. Bonds7

About 3-benzyl-4-[(3-phenylmethoxyphenyl)methyl]-8-(trifluoromethyl)quinoline

3-benzyl-4-[(3-phenylmethoxyphenyl)methyl]-8-(trifluoromethyl)quinoline (PubChem CID 141120024) has the molecular formula C31H24F3NO and a molecular weight of 483.53 g/mol. Its IUPAC name is 3-benzyl-4-[(3-phenylmethoxyphenyl)methyl]-8-(trifluoromethyl)quinoline.

Molecular Properties

Compound Name3-benzyl-4-[(3-phenylmethoxyphenyl)methyl]-8-(trifluoromethyl)quinoline
PubChem CID141120024
Molecular FormulaC31H24F3NO
Molecular Weight483.53 g/mol
Exact Mass483.18
IUPAC Name3-benzyl-4-[(3-phenylmethoxyphenyl)methyl]-8-(trifluoromethyl)quinoline
SMILESFC(F)(F)c1cccc2c(Cc3cccc(OCc4ccccc4)c3)c(Cc3ccccc3)cnc12
InChIInChI=1S/C31H24F3NO/c32-31(33,34)29-16-8-15-27-28(25(20-35-30(27)29)17-22-9-3-1-4-10-22)19-24-13-7-14-26(18-24)36-21-23-11-5-2-6-12-23/h1-16,18,20H,17,19,21H2
InChIKeyDPIJUCODYKTMRP-UHFFFAOYSA-N
XLogP8.01
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.53
LogP ≤ 58.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-[[3-[[3-benzyl-8-(trifluoromethyl)quinolin-4-yl]methyl]phenoxy]methyl]benzoic acid;methyl 3-[[3-[[3-benzyl-8-(trifluoromethyl)quinolin-4-yl]methyl]phenoxy]methyl]benzoate
CID 87928749
2-[[3-benzyl-8-(trifluoromethyl)quinolin-4-yl]methyl]phenol
CID 174504808
2-[4-[[3-[3-benzyl-8-(trifluoromethyl)quinolin-4-yl]phenoxy]methyl]-2,5-dimethylphenyl]acetic acid
CID 25225786
2-[4-[[3-[3-benzyl-8-(trifluoromethyl)quinolin-4-yl]phenyl]methoxy]phenyl]-2-hydroxyacetic acid
CID 68814496
2-[5-[[3-[3-benzyl-8-(trifluoromethyl)quinolin-4-yl]phenyl]methoxy]naphthalen-1-yl]acetic acid
CID 25226692
[1-[4-[[3-[3-benzyl-8-(trifluoromethyl)quinolin-4-yl]phenyl]methoxy]phenyl]peroxy-1-oxobutan-2-yl] acetate
CID 91163105
4-[3-[[4-(chloromethyl)phenyl]methoxy]phenyl]-3-phenyl-8-(trifluoromethyl)quinoline
CID 141119965
(2S)-2-[[4-[[3-[3-benzyl-8-(trifluoromethyl)quinolin-4-yl]phenoxy]methyl]benzoyl]amino]-4-methylsulfanylbutanoic acid
CID 25226504
methyl 2-[4-[[3-[3-[(4-chlorophenyl)methyl]-8-(trifluoromethyl)quinolin-4-yl]phenoxy]methyl]phenoxy]acetate
CID 91201800
3-benzyl-4-[3-(2,3-dihydro-1H-inden-1-ylmethoxy)phenyl]-8-(trifluoromethyl)quinoline
CID 66913945
4-[3-[(2,3-dimethylphenyl)methoxy]phenyl]-3-phenyl-8-(trifluoromethyl)quinoline
CID 66914057
5-[(3-phenylmethoxyphenyl)methyl]pyrimidine-2,4-diamine
CID 10828475

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-4-[(3-phenylmethoxyphenyl)methyl]-8-(trifluoromethyl)quinoline?
The IUPAC name of 3-benzyl-4-[(3-phenylmethoxyphenyl)methyl]-8-(trifluoromethyl)quinoline (CID 141120024) is 3-benzyl-4-[(3-phenylmethoxyphenyl)methyl]-8-(trifluoromethyl)quinoline.
What is the SMILES notation for 3-benzyl-4-[(3-phenylmethoxyphenyl)methyl]-8-(trifluoromethyl)quinoline?
The canonical SMILES for 3-benzyl-4-[(3-phenylmethoxyphenyl)methyl]-8-(trifluoromethyl)quinoline is FC(F)(F)c1cccc2c(Cc3cccc(OCc4ccccc4)c3)c(Cc3ccccc3)cnc12.
What is the InChIKey of 3-benzyl-4-[(3-phenylmethoxyphenyl)methyl]-8-(trifluoromethyl)quinoline?
The InChIKey is DPIJUCODYKTMRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H24F3NO/c32-31(33,34)29-16-8-15-27-28(25(20-35-30(27)29)17-22-9-3-1-4-10-22)19-24-13-7-14-26(18-24)36-21-23-11-5-2-6-12-23/h1-16,18,20H,17,19,21H2.
What are the key properties of 3-benzyl-4-[(3-phenylmethoxyphenyl)methyl]-8-(trifluoromethyl)quinoline?
3-benzyl-4-[(3-phenylmethoxyphenyl)methyl]-8-(trifluoromethyl)quinoline has a molecular weight of 483.53 g/mol, XLogP of 8.01, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-4-[(3-phenylmethoxyphenyl)methyl]-8-(trifluoromethyl)quinoline is sourced from PubChem (CID 141120024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).