3-phenyl-1-quinolin-3-yl-3-(trifluoromethyl)-4H-isoquinoline

C25H17F3N2 — CID 23160838

IUPAC3-phenyl-1-quinolin-3-yl-3-(trifluoromethyl)-4H-isoquinoline
SMILESFC(F)(F)C1(c2ccccc2)Cc2ccccc2C(c2cnc3ccccc3c2)=N1
InChIInChI=1S/C25H17F3N2/c26-25(27,28)24(20-10-2-1-3-11-20)15-18-9-4-6-12-21(18)23(30-24)19-14-17-8-5-7-13-22(17)29-16-19/h1-14,16H,15H2
InChIKeyJEAVJHZWFOBMME-UHFFFAOYSA-N
MW402.42 g/mol
LogP6.09
Rot. Bonds2

About 3-phenyl-1-quinolin-3-yl-3-(trifluoromethyl)-4H-isoquinoline

3-phenyl-1-quinolin-3-yl-3-(trifluoromethyl)-4H-isoquinoline (PubChem CID 23160838) has the molecular formula C25H17F3N2 and a molecular weight of 402.42 g/mol. Its IUPAC name is 3-phenyl-1-quinolin-3-yl-3-(trifluoromethyl)-4H-isoquinoline.

Molecular Properties

Compound Name3-phenyl-1-quinolin-3-yl-3-(trifluoromethyl)-4H-isoquinoline
PubChem CID23160838
Molecular FormulaC25H17F3N2
Molecular Weight402.42 g/mol
Exact Mass402.13
IUPAC Name3-phenyl-1-quinolin-3-yl-3-(trifluoromethyl)-4H-isoquinoline
SMILESFC(F)(F)C1(c2ccccc2)Cc2ccccc2C(c2cnc3ccccc3c2)=N1
InChIInChI=1S/C25H17F3N2/c26-25(27,28)24(20-10-2-1-3-11-20)15-18-9-4-6-12-21(18)23(30-24)19-14-17-8-5-7-13-22(17)29-16-19/h1-14,16H,15H2
InChIKeyJEAVJHZWFOBMME-UHFFFAOYSA-N
XLogP6.09
TPSA25.25 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.42
LogP ≤ 56.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6-fluoro-3,3-dimethyl-1-quinolin-3-yl-4H-isoquinoline
CID 23160905
4-quinolin-3-ylspiro[1,3-benzoxazine-2,1'-cyclobutane]
CID 68993426
3-(3,3-dimethyl-4H-isoquinolin-1-yl)-6,7-dimethylquinoline
CID 90308725
8-bromo-3-(3,3-dimethyl-4H-isoquinolin-1-yl)quinoline
CID 90308670
3,3,4-trimethyl-1-quinolin-3-yl-4H-isoquinoline
CID 23160875
(E)-but-2-enedioic acid;5-fluoro-3,3-dimethyl-1-quinolin-3-yl-4H-isoquinoline
CID 23160793
3-[4-[4-[3,5-bis(trifluoromethyl)phenyl]phenyl]phenyl]quinoline
CID 171056228
3-[4-(4-fluorophenyl)phenyl]quinoline
CID 171056588
3-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]quinoline
CID 58322543
3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinoline
CID 58322553
3-[4-(4-phenylphenyl)-6-quinolin-3-yl-1,3,5-triazin-2-yl]quinoline
CID 122426515
5-fluoro-1-(6-fluoroquinolin-3-yl)-3,3,4,4-tetramethylisoquinoline
CID 23160881

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-1-quinolin-3-yl-3-(trifluoromethyl)-4H-isoquinoline?
The IUPAC name of 3-phenyl-1-quinolin-3-yl-3-(trifluoromethyl)-4H-isoquinoline (CID 23160838) is 3-phenyl-1-quinolin-3-yl-3-(trifluoromethyl)-4H-isoquinoline.
What is the SMILES notation for 3-phenyl-1-quinolin-3-yl-3-(trifluoromethyl)-4H-isoquinoline?
The canonical SMILES for 3-phenyl-1-quinolin-3-yl-3-(trifluoromethyl)-4H-isoquinoline is FC(F)(F)C1(c2ccccc2)Cc2ccccc2C(c2cnc3ccccc3c2)=N1.
What is the InChIKey of 3-phenyl-1-quinolin-3-yl-3-(trifluoromethyl)-4H-isoquinoline?
The InChIKey is JEAVJHZWFOBMME-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17F3N2/c26-25(27,28)24(20-10-2-1-3-11-20)15-18-9-4-6-12-21(18)23(30-24)19-14-17-8-5-7-13-22(17)29-16-19/h1-14,16H,15H2.
What are the key properties of 3-phenyl-1-quinolin-3-yl-3-(trifluoromethyl)-4H-isoquinoline?
3-phenyl-1-quinolin-3-yl-3-(trifluoromethyl)-4H-isoquinoline has a molecular weight of 402.42 g/mol, XLogP of 6.09, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-1-quinolin-3-yl-3-(trifluoromethyl)-4H-isoquinoline is sourced from PubChem (CID 23160838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).