4-(4-amino-2-fluorophenoxy)-7-methoxyquinolin-6-ol

C16H13FN2O3 — CID 67522286

IUPAC4-(4-amino-2-fluorophenoxy)-7-methoxyquinolin-6-ol
SMILESCOc1cc2nccc(Oc3ccc(N)cc3F)c2cc1O
InChIInChI=1S/C16H13FN2O3/c1-21-16-8-12-10(7-13(16)20)14(4-5-19-12)22-15-3-2-9(18)6-11(15)17/h2-8,20H,18H2,1H3
InChIKeyCJRYTQNBCGKVIB-UHFFFAOYSA-N
MW300.29 g/mol
LogP3.46
Rot. Bonds3

About 4-(4-amino-2-fluorophenoxy)-7-methoxyquinolin-6-ol

4-(4-amino-2-fluorophenoxy)-7-methoxyquinolin-6-ol (PubChem CID 67522286) has the molecular formula C16H13FN2O3 and a molecular weight of 300.29 g/mol. Its IUPAC name is 4-(4-amino-2-fluorophenoxy)-7-methoxyquinolin-6-ol.

Molecular Properties

Compound Name4-(4-amino-2-fluorophenoxy)-7-methoxyquinolin-6-ol
PubChem CID67522286
Molecular FormulaC16H13FN2O3
Molecular Weight300.29 g/mol
Exact Mass300.09
IUPAC Name4-(4-amino-2-fluorophenoxy)-7-methoxyquinolin-6-ol
SMILESCOc1cc2nccc(Oc3ccc(N)cc3F)c2cc1O
InChIInChI=1S/C16H13FN2O3/c1-21-16-8-12-10(7-13(16)20)14(4-5-19-12)22-15-3-2-9(18)6-11(15)17/h2-8,20H,18H2,1H3
InChIKeyCJRYTQNBCGKVIB-UHFFFAOYSA-N
XLogP3.46
TPSA77.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.29
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-(4-amino-2-fluorophenoxy)-7-methoxyquinolin-6-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(4-amino-2-fluorophenoxy)-7-methoxy-N,N-dimethylquinoline-6-carboxamide
CID 155779628
4-(4-amino-2-fluorophenoxy)-6-methoxyquinazolin-7-ol;ethane
CID 144548495
3-fluoro-4-[6-methoxy-7-(piperidin-4-ylmethoxy)quinolin-4-yl]oxyaniline
CID 67519530
tert-butyl N-[3-[4-(4-amino-2-fluorophenoxy)-6-methoxyquinolin-7-yl]oxypropyl]carbamate
CID 66611559
4-(4-amino-2-fluorophenoxy)-7-methoxy-N-(2-morpholin-4-ylethyl)quinolin-6-amine
CID 155779576
4-(6,7-dimethoxyquinolin-4-yl)oxyaniline;dihydrochloride
CID 118991674
4-(2-fluoro-4-pyrimidin-5-ylphenoxy)-6,7-dimethoxyquinoline
CID 141201268
4-(4-chloro-2-fluorophenoxy)-7-methoxyquinoline-6-carboxylic acid
CID 11268045
4-(6,7-dimethoxyquinolin-4-yl)oxy-N-ethyl-3-fluoroaniline
CID 67457884
4-(6,7-dimethoxyquinolin-4-yl)oxyaniline;methanethiol
CID 165143775
4-[4-(6-anilinopyridazin-3-yl)-2-fluorophenoxy]-6-methoxyquinolin-7-ol
CID 143237170
4-[2-(aminomethyl)-6,7-dimethoxyquinolin-4-yl]oxy-3-fluoroaniline
CID 66669452

Frequently Asked Questions

What is the IUPAC name of 4-(4-amino-2-fluorophenoxy)-7-methoxyquinolin-6-ol?
The IUPAC name of 4-(4-amino-2-fluorophenoxy)-7-methoxyquinolin-6-ol (CID 67522286) is 4-(4-amino-2-fluorophenoxy)-7-methoxyquinolin-6-ol.
What is the SMILES notation for 4-(4-amino-2-fluorophenoxy)-7-methoxyquinolin-6-ol?
The canonical SMILES for 4-(4-amino-2-fluorophenoxy)-7-methoxyquinolin-6-ol is COc1cc2nccc(Oc3ccc(N)cc3F)c2cc1O.
What is the InChIKey of 4-(4-amino-2-fluorophenoxy)-7-methoxyquinolin-6-ol?
The InChIKey is CJRYTQNBCGKVIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN2O3/c1-21-16-8-12-10(7-13(16)20)14(4-5-19-12)22-15-3-2-9(18)6-11(15)17/h2-8,20H,18H2,1H3.
What are the key properties of 4-(4-amino-2-fluorophenoxy)-7-methoxyquinolin-6-ol?
4-(4-amino-2-fluorophenoxy)-7-methoxyquinolin-6-ol has a molecular weight of 300.29 g/mol, XLogP of 3.46, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-amino-2-fluorophenoxy)-7-methoxyquinolin-6-ol is sourced from PubChem (CID 67522286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).