4-(4-chloro-3-methoxyphenyl)-3-phenyl-8-(trifluoromethyl)quinoline

C23H15ClF3NO — CID 66913406

IUPAC4-(4-chloro-3-methoxyphenyl)-3-phenyl-8-(trifluoromethyl)quinoline
SMILESCOc1cc(-c2c(-c3ccccc3)cnc3c(C(F)(F)F)cccc23)ccc1Cl
InChIInChI=1S/C23H15ClF3NO/c1-29-20-12-15(10-11-19(20)24)21-16-8-5-9-18(23(25,26)27)22(16)28-13-17(21)14-6-3-2-4-7-14/h2-13H,1H3
InChIKeyHZFDWIINOPPKJF-UHFFFAOYSA-N
MW413.83 g/mol
LogP7.25
Rot. Bonds3

About 4-(4-chloro-3-methoxyphenyl)-3-phenyl-8-(trifluoromethyl)quinoline

4-(4-chloro-3-methoxyphenyl)-3-phenyl-8-(trifluoromethyl)quinoline (PubChem CID 66913406) has the molecular formula C23H15ClF3NO and a molecular weight of 413.83 g/mol. Its IUPAC name is 4-(4-chloro-3-methoxyphenyl)-3-phenyl-8-(trifluoromethyl)quinoline.

Molecular Properties

Compound Name4-(4-chloro-3-methoxyphenyl)-3-phenyl-8-(trifluoromethyl)quinoline
PubChem CID66913406
Molecular FormulaC23H15ClF3NO
Molecular Weight413.83 g/mol
Exact Mass413.08
IUPAC Name4-(4-chloro-3-methoxyphenyl)-3-phenyl-8-(trifluoromethyl)quinoline
SMILESCOc1cc(-c2c(-c3ccccc3)cnc3c(C(F)(F)F)cccc23)ccc1Cl
InChIInChI=1S/C23H15ClF3NO/c1-29-20-12-15(10-11-19(20)24)21-16-8-5-9-18(23(25,26)27)22(16)28-13-17(21)14-6-3-2-4-7-14/h2-13H,1H3
InChIKeyHZFDWIINOPPKJF-UHFFFAOYSA-N
XLogP7.25
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.83
LogP ≤ 57.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-[3-[(2-methoxyphenyl)methoxy]phenyl]-3-phenyl-8-(trifluoromethyl)quinoline
CID 66914261
4-(2-fluoro-5-methoxyphenyl)-3-phenyl-8-(trifluoromethyl)quinoline
CID 66913753
4-[3-[[4-(chloromethyl)phenyl]methoxy]phenyl]-3-phenyl-8-(trifluoromethyl)quinoline
CID 141119965
4-[3-[(2,3-dimethylphenyl)methoxy]phenyl]-3-phenyl-8-(trifluoromethyl)quinoline
CID 66914057
3-[3-(2-ethylphenyl)-8-(trifluoromethyl)quinolin-4-yl]phenol
CID 66913968
4-[3-[(2,6-dimethylphenyl)methoxy]phenyl]-3-(2-methylphenyl)-8-(trifluoromethyl)quinoline
CID 66914378
[2-methyl-4-[[3-[3-phenyl-8-(trifluoromethyl)quinolin-4-yl]phenoxy]methyl]phenyl] acetate
CID 66914712
2-[4-(3-hydroxyphenyl)-8-(trifluoromethyl)quinolin-3-yl]benzaldehyde
CID 87202387
3-(8-chloro-3-phenylquinolin-4-yl)aniline
CID 66913759
3-[(4-methoxyphenoxy)methyl]-4-phenyl-8-(trifluoromethyl)quinoline
CID 66914038
(E)-2-methyl-3-[4-[[3-[3-phenyl-8-(trifluoromethyl)quinolin-4-yl]phenoxy]methyl]phenyl]prop-2-enoic acid
CID 68812320
N-(2-methoxyphenyl)-N-methyl-4-phenyl-8-(trifluoromethyl)quinoline-3-carboxamide
CID 66914400

Frequently Asked Questions

What is the IUPAC name of 4-(4-chloro-3-methoxyphenyl)-3-phenyl-8-(trifluoromethyl)quinoline?
The IUPAC name of 4-(4-chloro-3-methoxyphenyl)-3-phenyl-8-(trifluoromethyl)quinoline (CID 66913406) is 4-(4-chloro-3-methoxyphenyl)-3-phenyl-8-(trifluoromethyl)quinoline.
What is the SMILES notation for 4-(4-chloro-3-methoxyphenyl)-3-phenyl-8-(trifluoromethyl)quinoline?
The canonical SMILES for 4-(4-chloro-3-methoxyphenyl)-3-phenyl-8-(trifluoromethyl)quinoline is COc1cc(-c2c(-c3ccccc3)cnc3c(C(F)(F)F)cccc23)ccc1Cl.
What is the InChIKey of 4-(4-chloro-3-methoxyphenyl)-3-phenyl-8-(trifluoromethyl)quinoline?
The InChIKey is HZFDWIINOPPKJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15ClF3NO/c1-29-20-12-15(10-11-19(20)24)21-16-8-5-9-18(23(25,26)27)22(16)28-13-17(21)14-6-3-2-4-7-14/h2-13H,1H3.
What are the key properties of 4-(4-chloro-3-methoxyphenyl)-3-phenyl-8-(trifluoromethyl)quinoline?
4-(4-chloro-3-methoxyphenyl)-3-phenyl-8-(trifluoromethyl)quinoline has a molecular weight of 413.83 g/mol, XLogP of 7.25, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloro-3-methoxyphenyl)-3-phenyl-8-(trifluoromethyl)quinoline is sourced from PubChem (CID 66913406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).