3-phenyl-2-quinolin-8-yl-6-(trifluoromethyl)-3,4-dihydroisoquinolin-1-one

C25H17F3N2O — CID 102365124

IUPAC3-phenyl-2-quinolin-8-yl-6-(trifluoromethyl)-3,4-dihydroisoquinolin-1-one
SMILESO=C1c2ccc(C(F)(F)F)cc2CC(c2ccccc2)N1c1cccc2cccnc12
InChIInChI=1S/C25H17F3N2O/c26-25(27,28)19-11-12-20-18(14-19)15-22(16-6-2-1-3-7-16)30(24(20)31)21-10-4-8-17-9-5-13-29-23(17)21/h1-14,22H,15H2
InChIKeyDMVZGNZNWPZTFA-UHFFFAOYSA-N
MW418.42 g/mol
LogP6.20
Rot. Bonds2

About 3-phenyl-2-quinolin-8-yl-6-(trifluoromethyl)-3,4-dihydroisoquinolin-1-one

3-phenyl-2-quinolin-8-yl-6-(trifluoromethyl)-3,4-dihydroisoquinolin-1-one (PubChem CID 102365124) has the molecular formula C25H17F3N2O and a molecular weight of 418.42 g/mol. Its IUPAC name is 3-phenyl-2-quinolin-8-yl-6-(trifluoromethyl)-3,4-dihydroisoquinolin-1-one.

Molecular Properties

Compound Name3-phenyl-2-quinolin-8-yl-6-(trifluoromethyl)-3,4-dihydroisoquinolin-1-one
PubChem CID102365124
Molecular FormulaC25H17F3N2O
Molecular Weight418.42 g/mol
Exact Mass418.13
IUPAC Name3-phenyl-2-quinolin-8-yl-6-(trifluoromethyl)-3,4-dihydroisoquinolin-1-one
SMILESO=C1c2ccc(C(F)(F)F)cc2CC(c2ccccc2)N1c1cccc2cccnc12
InChIInChI=1S/C25H17F3N2O/c26-25(27,28)19-11-12-20-18(14-19)15-22(16-6-2-1-3-7-16)30(24(20)31)21-10-4-8-17-9-5-13-29-23(17)21/h1-14,22H,15H2
InChIKeyDMVZGNZNWPZTFA-UHFFFAOYSA-N
XLogP6.20
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.42
LogP ≤ 56.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

((2R,4S)-2-Benzyl-4-((quinolin-4-ylmethyl)amino)piperidin-1-yl)(3,5-dimethylphenyl)methanone
CID 9869033
15-Pgdh-IN-1
CID 135300446
4-methyl-3-(2-(quinolin-3-yl)ethynyl)-N-(3-(trifluoromethyl)-phenyl)benzamide
CID 16109040
3-[4-(Trifluoromethyl)phenyl]quinoxaline-5-carboxamide
CID 9922953
4-methyl-3-(2-(quinoxalin-2-yl)ethynyl)-N-(3-(trifluoromethyl)phenyl)benzamide
CID 16109024
2-{4-[({3-[3-Benzoyl-8-(trifluoromethyl)quinolin-4-yl]phenyl}amino)methyl]phenyl}acetamide
CID 23648484
(S)-N-(1-(Pyridin-2-YL)ethyl)-5-(4-(trifluoromethyl)phenyl)-2-naphthamide
CID 146909371
N,N-diethyl-4-(1-piperazinyl(8-quinolinyl)methyl)benzamide
CID 9801260
4-Phenyl-quinoline-3-carboxylic acid (3,5-bis-trifluoromethyl-benzyl)-methyl-amide
CID 11248796
N-[4-(4-phenylpiperazin-1-yl)butyl]quinoline-6-carboxamide
CID 24769156
N-[4-(4-quinolin-3-ylpiperazin-1-yl)butyl]benzamide
CID 57873499
3-methyl-N-quinolin-8-ylbenzamide
CID 849605

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-2-quinolin-8-yl-6-(trifluoromethyl)-3,4-dihydroisoquinolin-1-one?
The IUPAC name of 3-phenyl-2-quinolin-8-yl-6-(trifluoromethyl)-3,4-dihydroisoquinolin-1-one (CID 102365124) is 3-phenyl-2-quinolin-8-yl-6-(trifluoromethyl)-3,4-dihydroisoquinolin-1-one.
What is the SMILES notation for 3-phenyl-2-quinolin-8-yl-6-(trifluoromethyl)-3,4-dihydroisoquinolin-1-one?
The canonical SMILES for 3-phenyl-2-quinolin-8-yl-6-(trifluoromethyl)-3,4-dihydroisoquinolin-1-one is O=C1c2ccc(C(F)(F)F)cc2CC(c2ccccc2)N1c1cccc2cccnc12.
What is the InChIKey of 3-phenyl-2-quinolin-8-yl-6-(trifluoromethyl)-3,4-dihydroisoquinolin-1-one?
The InChIKey is DMVZGNZNWPZTFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17F3N2O/c26-25(27,28)19-11-12-20-18(14-19)15-22(16-6-2-1-3-7-16)30(24(20)31)21-10-4-8-17-9-5-13-29-23(17)21/h1-14,22H,15H2.
What are the key properties of 3-phenyl-2-quinolin-8-yl-6-(trifluoromethyl)-3,4-dihydroisoquinolin-1-one?
3-phenyl-2-quinolin-8-yl-6-(trifluoromethyl)-3,4-dihydroisoquinolin-1-one has a molecular weight of 418.42 g/mol, XLogP of 6.20, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-2-quinolin-8-yl-6-(trifluoromethyl)-3,4-dihydroisoquinolin-1-one is sourced from PubChem (CID 102365124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).