2-[8-amino-4-(3-fluorophenyl)-5,6-dihydrobenzo[h]quinolin-2-yl]phenol

C25H19FN2O — CID 166635781

IUPAC2-[8-amino-4-(3-fluorophenyl)-5,6-dihydrobenzo[h]quinolin-2-yl]phenol
SMILESNc1ccc2c(c1)CCc1c(-c3cccc(F)c3)cc(-c3ccccc3O)nc1-2
InChIInChI=1S/C25H19FN2O/c26-17-5-3-4-15(12-17)22-14-23(21-6-1-2-7-24(21)29)28-25-19-11-9-18(27)13-16(19)8-10-20(22)25/h1-7,9,11-14,29H,8,10,27H2
InChIKeyFIBWAVTVMGODGB-UHFFFAOYSA-N
MW382.44 g/mol
LogP5.61
Rot. Bonds2

About 2-[8-amino-4-(3-fluorophenyl)-5,6-dihydrobenzo[h]quinolin-2-yl]phenol

2-[8-amino-4-(3-fluorophenyl)-5,6-dihydrobenzo[h]quinolin-2-yl]phenol (PubChem CID 166635781) has the molecular formula C25H19FN2O and a molecular weight of 382.44 g/mol. Its IUPAC name is 2-[8-amino-4-(3-fluorophenyl)-5,6-dihydrobenzo[h]quinolin-2-yl]phenol.

Molecular Properties

Compound Name2-[8-amino-4-(3-fluorophenyl)-5,6-dihydrobenzo[h]quinolin-2-yl]phenol
PubChem CID166635781
Molecular FormulaC25H19FN2O
Molecular Weight382.44 g/mol
Exact Mass382.15
IUPAC Name2-[8-amino-4-(3-fluorophenyl)-5,6-dihydrobenzo[h]quinolin-2-yl]phenol
SMILESNc1ccc2c(c1)CCc1c(-c3cccc(F)c3)cc(-c3ccccc3O)nc1-2
InChIInChI=1S/C25H19FN2O/c26-17-5-3-4-15(12-17)22-14-23(21-6-1-2-7-24(21)29)28-25-19-11-9-18(27)13-16(19)8-10-20(22)25/h1-7,9,11-14,29H,8,10,27H2
InChIKeyFIBWAVTVMGODGB-UHFFFAOYSA-N
XLogP5.61
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.44
LogP ≤ 55.61
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-(3-fluorophenyl)-5,6-dihydrobenzo[h]quinolin-2-yl]phenol?
The IUPAC name of 2-[8-amino-4-(3-fluorophenyl)-5,6-dihydrobenzo[h]quinolin-2-yl]phenol (CID 166635781) is 2-[8-amino-4-(3-fluorophenyl)-5,6-dihydrobenzo[h]quinolin-2-yl]phenol.
What is the SMILES notation for 2-[8-amino-4-(3-fluorophenyl)-5,6-dihydrobenzo[h]quinolin-2-yl]phenol?
The canonical SMILES for 2-[8-amino-4-(3-fluorophenyl)-5,6-dihydrobenzo[h]quinolin-2-yl]phenol is Nc1ccc2c(c1)CCc1c(-c3cccc(F)c3)cc(-c3ccccc3O)nc1-2.
What is the InChIKey of 2-[8-amino-4-(3-fluorophenyl)-5,6-dihydrobenzo[h]quinolin-2-yl]phenol?
The InChIKey is FIBWAVTVMGODGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19FN2O/c26-17-5-3-4-15(12-17)22-14-23(21-6-1-2-7-24(21)29)28-25-19-11-9-18(27)13-16(19)8-10-20(22)25/h1-7,9,11-14,29H,8,10,27H2.
What are the key properties of 2-[8-amino-4-(3-fluorophenyl)-5,6-dihydrobenzo[h]quinolin-2-yl]phenol?
2-[8-amino-4-(3-fluorophenyl)-5,6-dihydrobenzo[h]quinolin-2-yl]phenol has a molecular weight of 382.44 g/mol, XLogP of 5.61, 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-(3-fluorophenyl)-5,6-dihydrobenzo[h]quinolin-2-yl]phenol is sourced from PubChem (CID 166635781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).