8-(1-ethylpyrazol-4-yl)oxy-7-fluoroquinolin-5-amine

C14H13FN4O — CID 116800254

IUPAC8-(1-ethylpyrazol-4-yl)oxy-7-fluoroquinolin-5-amine
SMILESCCn1cc(Oc2c(F)cc(N)c3cccnc23)cn1
InChIInChI=1S/C14H13FN4O/c1-2-19-8-9(7-18-19)20-14-11(15)6-12(16)10-4-3-5-17-13(10)14/h3-8H,2,16H2,1H3
InChIKeyUVSLWVJDXDMCRS-UHFFFAOYSA-N
MW272.28 g/mol
LogP2.96
Rot. Bonds3

About 8-(1-ethylpyrazol-4-yl)oxy-7-fluoroquinolin-5-amine

8-(1-ethylpyrazol-4-yl)oxy-7-fluoroquinolin-5-amine (PubChem CID 116800254) has the molecular formula C14H13FN4O and a molecular weight of 272.28 g/mol. Its IUPAC name is 8-(1-ethylpyrazol-4-yl)oxy-7-fluoroquinolin-5-amine.

Molecular Properties

Compound Name8-(1-ethylpyrazol-4-yl)oxy-7-fluoroquinolin-5-amine
PubChem CID116800254
Molecular FormulaC14H13FN4O
Molecular Weight272.28 g/mol
Exact Mass272.11
IUPAC Name8-(1-ethylpyrazol-4-yl)oxy-7-fluoroquinolin-5-amine
SMILESCCn1cc(Oc2c(F)cc(N)c3cccnc23)cn1
InChIInChI=1S/C14H13FN4O/c1-2-19-8-9(7-18-19)20-14-11(15)6-12(16)10-4-3-5-17-13(10)14/h3-8H,2,16H2,1H3
InChIKeyUVSLWVJDXDMCRS-UHFFFAOYSA-N
XLogP2.96
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.28
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

8-(4-bromo-3-methylphenoxy)-7-fluoroquinolin-5-amine
CID 83165372
2-(1-ethylpyrazol-4-yl)oxy-5-fluoro-4-methylaniline
CID 103591089
3-(5-amino-7-fluoroquinolin-8-yl)oxybenzonitrile
CID 83165691
4-(1-ethylpyrazol-4-yl)oxy-3-fluoroaniline
CID 116800238
8-(2,5-dimethylphenoxy)-7-fluoroquinolin-5-amine
CID 83165520
4-(1-ethylpyrazol-4-yl)oxypyridin-2-amine
CID 116805835
7-fluoro-8-(2-iodophenoxy)quinolin-5-amine
CID 83165526
5-chloro-2-(1-ethylpyrazol-4-yl)oxy-4-fluoroaniline
CID 116800247
8-(2,5-dichlorophenoxy)-7-fluoroquinolin-5-amine
CID 83164661
5-bromo-2-(1-ethylpyrazol-4-yl)oxy-4-fluoroaniline
CID 116800312
4-(1-ethylpyrazol-4-yl)oxyaniline
CID 116800266
[1-(1-ethylpyrazol-4-yl)oxyisoquinolin-4-yl]methanol
CID 106768860

Frequently Asked Questions

What is the IUPAC name of 8-(1-ethylpyrazol-4-yl)oxy-7-fluoroquinolin-5-amine?
The IUPAC name of 8-(1-ethylpyrazol-4-yl)oxy-7-fluoroquinolin-5-amine (CID 116800254) is 8-(1-ethylpyrazol-4-yl)oxy-7-fluoroquinolin-5-amine.
What is the SMILES notation for 8-(1-ethylpyrazol-4-yl)oxy-7-fluoroquinolin-5-amine?
The canonical SMILES for 8-(1-ethylpyrazol-4-yl)oxy-7-fluoroquinolin-5-amine is CCn1cc(Oc2c(F)cc(N)c3cccnc23)cn1.
What is the InChIKey of 8-(1-ethylpyrazol-4-yl)oxy-7-fluoroquinolin-5-amine?
The InChIKey is UVSLWVJDXDMCRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN4O/c1-2-19-8-9(7-18-19)20-14-11(15)6-12(16)10-4-3-5-17-13(10)14/h3-8H,2,16H2,1H3.
What are the key properties of 8-(1-ethylpyrazol-4-yl)oxy-7-fluoroquinolin-5-amine?
8-(1-ethylpyrazol-4-yl)oxy-7-fluoroquinolin-5-amine has a molecular weight of 272.28 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(1-ethylpyrazol-4-yl)oxy-7-fluoroquinolin-5-amine is sourced from PubChem (CID 116800254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).