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

C26H19F3N2O — CID 166629704

IUPAC2-[8-amino-4-[2-(trifluoromethyl)phenyl]-5,6-dihydrobenzo[h]quinolin-2-yl]phenol
SMILESNc1ccc2c(c1)CCc1c(-c3ccccc3C(F)(F)F)cc(-c3ccccc3O)nc1-2
InChIInChI=1S/C26H19F3N2O/c27-26(28,29)22-7-3-1-5-18(22)21-14-23(20-6-2-4-8-24(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
InChIKeyMVPSSYRZYGVDAA-UHFFFAOYSA-N
MW432.45 g/mol
LogP6.49
Rot. Bonds2

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

2-[8-amino-4-[2-(trifluoromethyl)phenyl]-5,6-dihydrobenzo[h]quinolin-2-yl]phenol (PubChem CID 166629704) has the molecular formula C26H19F3N2O and a molecular weight of 432.45 g/mol. Its IUPAC name is 2-[8-amino-4-[2-(trifluoromethyl)phenyl]-5,6-dihydrobenzo[h]quinolin-2-yl]phenol.

Molecular Properties

Compound Name2-[8-amino-4-[2-(trifluoromethyl)phenyl]-5,6-dihydrobenzo[h]quinolin-2-yl]phenol
PubChem CID166629704
Molecular FormulaC26H19F3N2O
Molecular Weight432.45 g/mol
Exact Mass432.14
IUPAC Name2-[8-amino-4-[2-(trifluoromethyl)phenyl]-5,6-dihydrobenzo[h]quinolin-2-yl]phenol
SMILESNc1ccc2c(c1)CCc1c(-c3ccccc3C(F)(F)F)cc(-c3ccccc3O)nc1-2
InChIInChI=1S/C26H19F3N2O/c27-26(28,29)22-7-3-1-5-18(22)21-14-23(20-6-2-4-8-24(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
InChIKeyMVPSSYRZYGVDAA-UHFFFAOYSA-N
XLogP6.49
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.45
LogP ≤ 56.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[8-amino-4-[2-(trifluoromethyl)phenyl]-5,6-dihydrobenzo[h]quinolin-2-yl]phenol?
The IUPAC name of 2-[8-amino-4-[2-(trifluoromethyl)phenyl]-5,6-dihydrobenzo[h]quinolin-2-yl]phenol (CID 166629704) is 2-[8-amino-4-[2-(trifluoromethyl)phenyl]-5,6-dihydrobenzo[h]quinolin-2-yl]phenol.
What is the SMILES notation for 2-[8-amino-4-[2-(trifluoromethyl)phenyl]-5,6-dihydrobenzo[h]quinolin-2-yl]phenol?
The canonical SMILES for 2-[8-amino-4-[2-(trifluoromethyl)phenyl]-5,6-dihydrobenzo[h]quinolin-2-yl]phenol is Nc1ccc2c(c1)CCc1c(-c3ccccc3C(F)(F)F)cc(-c3ccccc3O)nc1-2.
What is the InChIKey of 2-[8-amino-4-[2-(trifluoromethyl)phenyl]-5,6-dihydrobenzo[h]quinolin-2-yl]phenol?
The InChIKey is MVPSSYRZYGVDAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19F3N2O/c27-26(28,29)22-7-3-1-5-18(22)21-14-23(20-6-2-4-8-24(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-(trifluoromethyl)phenyl]-5,6-dihydrobenzo[h]quinolin-2-yl]phenol?
2-[8-amino-4-[2-(trifluoromethyl)phenyl]-5,6-dihydrobenzo[h]quinolin-2-yl]phenol has a molecular weight of 432.45 g/mol, XLogP of 6.49, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[8-amino-4-[2-(trifluoromethyl)phenyl]-5,6-dihydrobenzo[h]quinolin-2-yl]phenol is sourced from PubChem (CID 166629704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).