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

C25H19FN2O — CID 166627044

IUPAC2-[8-amino-4-(2-fluorophenyl)-5,6-dihydrobenzo[h]quinolin-2-yl]phenol
SMILESNc1ccc2c(c1)CCc1c(-c3ccccc3F)cc(-c3ccccc3O)nc1-2
InChIInChI=1S/C25H19FN2O/c26-22-7-3-1-5-18(22)21-14-23(20-6-2-4-8-24(20)29)28-25-17-12-10-16(27)13-15(17)9-11-19(21)25/h1-8,10,12-14,29H,9,11,27H2
InChIKeyCTQIDESRJNZSAU-UHFFFAOYSA-N
MW382.44 g/mol
LogP5.61
Rot. Bonds2

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

2-[8-amino-4-(2-fluorophenyl)-5,6-dihydrobenzo[h]quinolin-2-yl]phenol (PubChem CID 166627044) has the molecular formula C25H19FN2O and a molecular weight of 382.44 g/mol. Its IUPAC name is 2-[8-amino-4-(2-fluorophenyl)-5,6-dihydrobenzo[h]quinolin-2-yl]phenol.

Molecular Properties

Compound Name2-[8-amino-4-(2-fluorophenyl)-5,6-dihydrobenzo[h]quinolin-2-yl]phenol
PubChem CID166627044
Molecular FormulaC25H19FN2O
Molecular Weight382.44 g/mol
Exact Mass382.15
IUPAC Name2-[8-amino-4-(2-fluorophenyl)-5,6-dihydrobenzo[h]quinolin-2-yl]phenol
SMILESNc1ccc2c(c1)CCc1c(-c3ccccc3F)cc(-c3ccccc3O)nc1-2
InChIInChI=1S/C25H19FN2O/c26-22-7-3-1-5-18(22)21-14-23(20-6-2-4-8-24(20)29)28-25-17-12-10-16(27)13-15(17)9-11-19(21)25/h1-8,10,12-14,29H,9,11,27H2
InChIKeyCTQIDESRJNZSAU-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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Related Compounds

CID 44296995
CID 44296995
CID 137641590
CID 137641590
CID 137643006
CID 137643006
CID 135981233
CID 135981233
CID 166625329
CID 166625329
CID 166625696
CID 166625696
CID 166627809
CID 166627809
CID 166627969
CID 166627969
CID 166629075
CID 166629075
CID 166629089
CID 166629089
CID 166629332
CID 166629332
CID 166629704
CID 166629704

Frequently Asked Questions

What is the IUPAC name of 2-[8-amino-4-(2-fluorophenyl)-5,6-dihydrobenzo[h]quinolin-2-yl]phenol?
The IUPAC name of 2-[8-amino-4-(2-fluorophenyl)-5,6-dihydrobenzo[h]quinolin-2-yl]phenol (CID 166627044) is 2-[8-amino-4-(2-fluorophenyl)-5,6-dihydrobenzo[h]quinolin-2-yl]phenol.
What is the SMILES notation for 2-[8-amino-4-(2-fluorophenyl)-5,6-dihydrobenzo[h]quinolin-2-yl]phenol?
The canonical SMILES for 2-[8-amino-4-(2-fluorophenyl)-5,6-dihydrobenzo[h]quinolin-2-yl]phenol is Nc1ccc2c(c1)CCc1c(-c3ccccc3F)cc(-c3ccccc3O)nc1-2.
What is the InChIKey of 2-[8-amino-4-(2-fluorophenyl)-5,6-dihydrobenzo[h]quinolin-2-yl]phenol?
The InChIKey is CTQIDESRJNZSAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19FN2O/c26-22-7-3-1-5-18(22)21-14-23(20-6-2-4-8-24(20)29)28-25-17-12-10-16(27)13-15(17)9-11-19(21)25/h1-8,10,12-14,29H,9,11,27H2.
What are the key properties of 2-[8-amino-4-(2-fluorophenyl)-5,6-dihydrobenzo[h]quinolin-2-yl]phenol?
2-[8-amino-4-(2-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-(2-fluorophenyl)-5,6-dihydrobenzo[h]quinolin-2-yl]phenol is sourced from PubChem (CID 166627044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).