4-[[2-(4-fluorophenyl)quinolin-4-yl]amino]phenol

C21H15FN2O — CID 10882081

IUPAC4-[[2-(4-fluorophenyl)quinolin-4-yl]amino]phenol
SMILESOc1ccc(Nc2cc(-c3ccc(F)cc3)nc3ccccc23)cc1
InChIInChI=1S/C21H15FN2O/c22-15-7-5-14(6-8-15)20-13-21(18-3-1-2-4-19(18)24-20)23-16-9-11-17(25)12-10-16/h1-13,25H,(H,23,24)
InChIKeyUQRFIQVFVJGXRA-UHFFFAOYSA-N
MW330.36 g/mol
LogP5.49
Rot. Bonds3

About 4-[[2-(4-fluorophenyl)quinolin-4-yl]amino]phenol

4-[[2-(4-fluorophenyl)quinolin-4-yl]amino]phenol (PubChem CID 10882081) has the molecular formula C21H15FN2O and a molecular weight of 330.36 g/mol. Its IUPAC name is 4-[[2-(4-fluorophenyl)quinolin-4-yl]amino]phenol.

Molecular Properties

Compound Name4-[[2-(4-fluorophenyl)quinolin-4-yl]amino]phenol
PubChem CID10882081
Molecular FormulaC21H15FN2O
Molecular Weight330.36 g/mol
Exact Mass330.12
IUPAC Name4-[[2-(4-fluorophenyl)quinolin-4-yl]amino]phenol
SMILESOc1ccc(Nc2cc(-c3ccc(F)cc3)nc3ccccc23)cc1
InChIInChI=1S/C21H15FN2O/c22-15-7-5-14(6-8-15)20-13-21(18-3-1-2-4-19(18)24-20)23-16-9-11-17(25)12-10-16/h1-13,25H,(H,23,24)
InChIKeyUQRFIQVFVJGXRA-UHFFFAOYSA-N
XLogP5.49
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.36
LogP ≤ 55.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N,2-bis(4-methoxyphenyl)quinolin-4-amine
CID 10981160
N-(3-chloro-4-methoxyphenyl)-2-(4-fluorophenyl)quinolin-4-amine
CID 11717826
4-[[2,6-bis(4-fluorophenyl)-4-pyridinyl]amino]phenol
CID 70954593
N-(4-bromophenyl)-2-phenylquinolin-4-amine;hydrochloride
CID 139593880
4-[(2-methylquinolin-4-yl)amino]phenol
CID 939157
2,4-bis(4-fluorophenyl)quinoline
CID 19694816
2-[4-(4-fluoroanilino)quinolin-2-yl]acetic acid
CID 110435469
methyl 4-(4-fluoroanilino)quinoline-2-carboxylate
CID 53113237
2-phenyl-N-[2-(trifluoromethyl)phenyl]quinolin-4-amine
CID 139593926
4-anilino-2-phenylquinolin-8-ol
CID 91486521
2-(2-chloro-5-fluorophenyl)-N-pyridin-4-ylquinolin-4-amine
CID 70660103
N-(4-chlorophenyl)-2-(4-fluorophenyl)quinoline-4-carboxamide
CID 3131336

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(4-fluorophenyl)quinolin-4-yl]amino]phenol?
The IUPAC name of 4-[[2-(4-fluorophenyl)quinolin-4-yl]amino]phenol (CID 10882081) is 4-[[2-(4-fluorophenyl)quinolin-4-yl]amino]phenol.
What is the SMILES notation for 4-[[2-(4-fluorophenyl)quinolin-4-yl]amino]phenol?
The canonical SMILES for 4-[[2-(4-fluorophenyl)quinolin-4-yl]amino]phenol is Oc1ccc(Nc2cc(-c3ccc(F)cc3)nc3ccccc23)cc1.
What is the InChIKey of 4-[[2-(4-fluorophenyl)quinolin-4-yl]amino]phenol?
The InChIKey is UQRFIQVFVJGXRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15FN2O/c22-15-7-5-14(6-8-15)20-13-21(18-3-1-2-4-19(18)24-20)23-16-9-11-17(25)12-10-16/h1-13,25H,(H,23,24).
What are the key properties of 4-[[2-(4-fluorophenyl)quinolin-4-yl]amino]phenol?
4-[[2-(4-fluorophenyl)quinolin-4-yl]amino]phenol has a molecular weight of 330.36 g/mol, XLogP of 5.49, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(4-fluorophenyl)quinolin-4-yl]amino]phenol is sourced from PubChem (CID 10882081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).