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

C25H19FN2O — CID 166627969

IUPAC3-[8-amino-4-(3-fluorophenyl)-5,6-dihydrobenzo[h]quinolin-2-yl]phenol
SMILESNc1ccc2c(c1)CCc1c(-c3cccc(F)c3)cc(-c3cccc(O)c3)nc1-2
InChIInChI=1S/C25H19FN2O/c26-18-5-1-3-15(11-18)23-14-24(17-4-2-6-20(29)13-17)28-25-21-10-8-19(27)12-16(21)7-9-22(23)25/h1-6,8,10-14,29H,7,9,27H2
InChIKeyMDMOINOBPYCJOE-UHFFFAOYSA-N
MW382.44 g/mol
LogP5.61
Rot. Bonds2

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

3-[8-amino-4-(3-fluorophenyl)-5,6-dihydrobenzo[h]quinolin-2-yl]phenol (PubChem CID 166627969) has the molecular formula C25H19FN2O and a molecular weight of 382.44 g/mol. Its IUPAC name is 3-[8-amino-4-(3-fluorophenyl)-5,6-dihydrobenzo[h]quinolin-2-yl]phenol.

Molecular Properties

Compound Name3-[8-amino-4-(3-fluorophenyl)-5,6-dihydrobenzo[h]quinolin-2-yl]phenol
PubChem CID166627969
Molecular FormulaC25H19FN2O
Molecular Weight382.44 g/mol
Exact Mass382.15
IUPAC Name3-[8-amino-4-(3-fluorophenyl)-5,6-dihydrobenzo[h]quinolin-2-yl]phenol
SMILESNc1ccc2c(c1)CCc1c(-c3cccc(F)c3)cc(-c3cccc(O)c3)nc1-2
InChIInChI=1S/C25H19FN2O/c26-18-5-1-3-15(11-18)23-14-24(17-4-2-6-20(29)13-17)28-25-21-10-8-19(27)12-16(21)7-9-22(23)25/h1-6,8,10-14,29H,7,9,27H2
InChIKeyMDMOINOBPYCJOE-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 3-[8-amino-4-(3-fluorophenyl)-5,6-dihydrobenzo[h]quinolin-2-yl]phenol?
The IUPAC name of 3-[8-amino-4-(3-fluorophenyl)-5,6-dihydrobenzo[h]quinolin-2-yl]phenol (CID 166627969) is 3-[8-amino-4-(3-fluorophenyl)-5,6-dihydrobenzo[h]quinolin-2-yl]phenol.
What is the SMILES notation for 3-[8-amino-4-(3-fluorophenyl)-5,6-dihydrobenzo[h]quinolin-2-yl]phenol?
The canonical SMILES for 3-[8-amino-4-(3-fluorophenyl)-5,6-dihydrobenzo[h]quinolin-2-yl]phenol is Nc1ccc2c(c1)CCc1c(-c3cccc(F)c3)cc(-c3cccc(O)c3)nc1-2.
What is the InChIKey of 3-[8-amino-4-(3-fluorophenyl)-5,6-dihydrobenzo[h]quinolin-2-yl]phenol?
The InChIKey is MDMOINOBPYCJOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19FN2O/c26-18-5-1-3-15(11-18)23-14-24(17-4-2-6-20(29)13-17)28-25-21-10-8-19(27)12-16(21)7-9-22(23)25/h1-6,8,10-14,29H,7,9,27H2.
What are the key properties of 3-[8-amino-4-(3-fluorophenyl)-5,6-dihydrobenzo[h]quinolin-2-yl]phenol?
3-[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 3-[8-amino-4-(3-fluorophenyl)-5,6-dihydrobenzo[h]quinolin-2-yl]phenol is sourced from PubChem (CID 166627969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).