2-[8-amino-4-[2-(trifluoromethoxy)phenyl]-5,6-dihydrobenzo[h]quinolin-2-yl]phenol

C26H19F3N2O2 — CID 166629089

IUPAC2-[8-amino-4-[2-(trifluoromethoxy)phenyl]-5,6-dihydrobenzo[h]quinolin-2-yl]phenol
SMILESNc1ccc2c(c1)CCc1c(-c3ccccc3OC(F)(F)F)cc(-c3ccccc3O)nc1-2
InChIInChI=1S/C26H19F3N2O2/c27-26(28,29)33-24-8-4-2-5-18(24)21-14-22(20-6-1-3-7-23(20)32)31-25-17-12-10-16(30)13-15(17)9-11-19(21)25/h1-8,10,12-14,32H,9,11,30H2
InChIKeyAFBOVCNOGIOGQS-UHFFFAOYSA-N
MW448.44 g/mol
LogP6.37
Rot. Bonds3

About 2-[8-amino-4-[2-(trifluoromethoxy)phenyl]-5,6-dihydrobenzo[h]quinolin-2-yl]phenol

2-[8-amino-4-[2-(trifluoromethoxy)phenyl]-5,6-dihydrobenzo[h]quinolin-2-yl]phenol (PubChem CID 166629089) has the molecular formula C26H19F3N2O2 and a molecular weight of 448.44 g/mol. Its IUPAC name is 2-[8-amino-4-[2-(trifluoromethoxy)phenyl]-5,6-dihydrobenzo[h]quinolin-2-yl]phenol.

Molecular Properties

Compound Name2-[8-amino-4-[2-(trifluoromethoxy)phenyl]-5,6-dihydrobenzo[h]quinolin-2-yl]phenol
PubChem CID166629089
Molecular FormulaC26H19F3N2O2
Molecular Weight448.44 g/mol
Exact Mass448.14
IUPAC Name2-[8-amino-4-[2-(trifluoromethoxy)phenyl]-5,6-dihydrobenzo[h]quinolin-2-yl]phenol
SMILESNc1ccc2c(c1)CCc1c(-c3ccccc3OC(F)(F)F)cc(-c3ccccc3O)nc1-2
InChIInChI=1S/C26H19F3N2O2/c27-26(28,29)33-24-8-4-2-5-18(24)21-14-22(20-6-1-3-7-23(20)32)31-25-17-12-10-16(30)13-15(17)9-11-19(21)25/h1-8,10,12-14,32H,9,11,30H2
InChIKeyAFBOVCNOGIOGQS-UHFFFAOYSA-N
XLogP6.37
TPSA68.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.44
LogP ≤ 56.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-fluoro-3-[2-(trifluoromethoxy)phenyl]aniline
CID 112694311
5-(trifluoromethoxy)-2-[2-(trifluoromethoxy)phenyl]phenol
CID 171115606
2,3-difluoro-4-[2-(trifluoromethoxy)phenyl]phenol
CID 119015626
1-(trifluoromethoxy)-2-[2-(trifluoromethoxy)phenyl]benzene
CID 18785200
methyl 5-amino-2-[2-(trifluoromethoxy)phenyl]benzoate
CID 168665377
4-[4-amino-2-(trifluoromethoxy)phenyl]-3-(trifluoromethoxy)aniline;hydrochloride
CID 176908298
4-fluoro-2,6-bis[2-(trifluoromethoxy)phenyl]pyridine
CID 133088911
4-[5-[4-amino-2-(trifluoromethoxy)phenyl]naphthalen-1-yl]-3-(trifluoromethoxy)aniline
CID 146374167
2,4-dimethyl-6-[2-(trifluoromethoxy)phenyl]pyridine
CID 119020699
4-[2-(trifluoromethoxy)phenyl]aniline
CID 16768545
4-hydroxy-3-[2-(trifluoromethoxy)phenyl]benzonitrile
CID 134626617
6-[2-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-naphthalen-1-one
CID 169410326

Frequently Asked Questions

What is the IUPAC name of 2-[8-amino-4-[2-(trifluoromethoxy)phenyl]-5,6-dihydrobenzo[h]quinolin-2-yl]phenol?
The IUPAC name of 2-[8-amino-4-[2-(trifluoromethoxy)phenyl]-5,6-dihydrobenzo[h]quinolin-2-yl]phenol (CID 166629089) is 2-[8-amino-4-[2-(trifluoromethoxy)phenyl]-5,6-dihydrobenzo[h]quinolin-2-yl]phenol.
What is the SMILES notation for 2-[8-amino-4-[2-(trifluoromethoxy)phenyl]-5,6-dihydrobenzo[h]quinolin-2-yl]phenol?
The canonical SMILES for 2-[8-amino-4-[2-(trifluoromethoxy)phenyl]-5,6-dihydrobenzo[h]quinolin-2-yl]phenol is Nc1ccc2c(c1)CCc1c(-c3ccccc3OC(F)(F)F)cc(-c3ccccc3O)nc1-2.
What is the InChIKey of 2-[8-amino-4-[2-(trifluoromethoxy)phenyl]-5,6-dihydrobenzo[h]quinolin-2-yl]phenol?
The InChIKey is AFBOVCNOGIOGQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19F3N2O2/c27-26(28,29)33-24-8-4-2-5-18(24)21-14-22(20-6-1-3-7-23(20)32)31-25-17-12-10-16(30)13-15(17)9-11-19(21)25/h1-8,10,12-14,32H,9,11,30H2.
What are the key properties of 2-[8-amino-4-[2-(trifluoromethoxy)phenyl]-5,6-dihydrobenzo[h]quinolin-2-yl]phenol?
2-[8-amino-4-[2-(trifluoromethoxy)phenyl]-5,6-dihydrobenzo[h]quinolin-2-yl]phenol has a molecular weight of 448.44 g/mol, XLogP of 6.37, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[8-amino-4-[2-(trifluoromethoxy)phenyl]-5,6-dihydrobenzo[h]quinolin-2-yl]phenol is sourced from PubChem (CID 166629089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).