2-[7-(4-fluorophenyl)-9-pyridin-2-yl-5,6-dihydrobenzo[h]quinolin-2-yl]phenol

C30H21FN2O — CID 146591687

IUPAC2-[7-(4-fluorophenyl)-9-pyridin-2-yl-5,6-dihydrobenzo[h]quinolin-2-yl]phenol
SMILESOc1ccccc1-c1ccc2c(n1)-c1cc(-c3ccccn3)cc(-c3ccc(F)cc3)c1CC2
InChIInChI=1S/C30H21FN2O/c31-22-12-8-19(9-13-22)25-17-21(27-6-3-4-16-32-27)18-26-23(25)14-10-20-11-15-28(33-30(20)26)24-5-1-2-7-29(24)34/h1-9,11-13,15-18,34H,10,14H2
InChIKeyZFPKTSTWOSKLOL-UHFFFAOYSA-N
MW444.51 g/mol
LogP7.09
Rot. Bonds3

About 2-[7-(4-fluorophenyl)-9-pyridin-2-yl-5,6-dihydrobenzo[h]quinolin-2-yl]phenol

2-[7-(4-fluorophenyl)-9-pyridin-2-yl-5,6-dihydrobenzo[h]quinolin-2-yl]phenol (PubChem CID 146591687) has the molecular formula C30H21FN2O and a molecular weight of 444.51 g/mol. Its IUPAC name is 2-[7-(4-fluorophenyl)-9-pyridin-2-yl-5,6-dihydrobenzo[h]quinolin-2-yl]phenol.

Molecular Properties

Compound Name2-[7-(4-fluorophenyl)-9-pyridin-2-yl-5,6-dihydrobenzo[h]quinolin-2-yl]phenol
PubChem CID146591687
Molecular FormulaC30H21FN2O
Molecular Weight444.51 g/mol
Exact Mass444.16
IUPAC Name2-[7-(4-fluorophenyl)-9-pyridin-2-yl-5,6-dihydrobenzo[h]quinolin-2-yl]phenol
SMILESOc1ccccc1-c1ccc2c(n1)-c1cc(-c3ccccn3)cc(-c3ccc(F)cc3)c1CC2
InChIInChI=1S/C30H21FN2O/c31-22-12-8-19(9-13-22)25-17-21(27-6-3-4-16-32-27)18-26-23(25)14-10-20-11-15-28(33-30(20)26)24-5-1-2-7-29(24)34/h1-9,11-13,15-18,34H,10,14H2
InChIKeyZFPKTSTWOSKLOL-UHFFFAOYSA-N
XLogP7.09
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.51
LogP ≤ 57.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[7-(4-fluorophenyl)-9-pyridin-2-yl-5,6-dihydrobenzo[h]quinolin-2-yl]phenol?
The IUPAC name of 2-[7-(4-fluorophenyl)-9-pyridin-2-yl-5,6-dihydrobenzo[h]quinolin-2-yl]phenol (CID 146591687) is 2-[7-(4-fluorophenyl)-9-pyridin-2-yl-5,6-dihydrobenzo[h]quinolin-2-yl]phenol.
What is the SMILES notation for 2-[7-(4-fluorophenyl)-9-pyridin-2-yl-5,6-dihydrobenzo[h]quinolin-2-yl]phenol?
The canonical SMILES for 2-[7-(4-fluorophenyl)-9-pyridin-2-yl-5,6-dihydrobenzo[h]quinolin-2-yl]phenol is Oc1ccccc1-c1ccc2c(n1)-c1cc(-c3ccccn3)cc(-c3ccc(F)cc3)c1CC2.
What is the InChIKey of 2-[7-(4-fluorophenyl)-9-pyridin-2-yl-5,6-dihydrobenzo[h]quinolin-2-yl]phenol?
The InChIKey is ZFPKTSTWOSKLOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H21FN2O/c31-22-12-8-19(9-13-22)25-17-21(27-6-3-4-16-32-27)18-26-23(25)14-10-20-11-15-28(33-30(20)26)24-5-1-2-7-29(24)34/h1-9,11-13,15-18,34H,10,14H2.
What are the key properties of 2-[7-(4-fluorophenyl)-9-pyridin-2-yl-5,6-dihydrobenzo[h]quinolin-2-yl]phenol?
2-[7-(4-fluorophenyl)-9-pyridin-2-yl-5,6-dihydrobenzo[h]quinolin-2-yl]phenol has a molecular weight of 444.51 g/mol, XLogP of 7.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-(4-fluorophenyl)-9-pyridin-2-yl-5,6-dihydrobenzo[h]quinolin-2-yl]phenol is sourced from PubChem (CID 146591687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).