4-(4-chloro-3-fluorophenoxy)quinolin-8-amine

C15H10ClFN2O — CID 83060401

IUPAC4-(4-chloro-3-fluorophenoxy)quinolin-8-amine
SMILESNc1cccc2c(Oc3ccc(Cl)c(F)c3)ccnc12
InChIInChI=1S/C15H10ClFN2O/c16-11-5-4-9(8-12(11)17)20-14-6-7-19-15-10(14)2-1-3-13(15)18/h1-8H,18H2
InChIKeyQAVDTFZHPAADEP-UHFFFAOYSA-N
MW288.71 g/mol
LogP4.40
Rot. Bonds2

About 4-(4-chloro-3-fluorophenoxy)quinolin-8-amine

4-(4-chloro-3-fluorophenoxy)quinolin-8-amine (PubChem CID 83060401) has the molecular formula C15H10ClFN2O and a molecular weight of 288.71 g/mol. Its IUPAC name is 4-(4-chloro-3-fluorophenoxy)quinolin-8-amine.

Molecular Properties

Compound Name4-(4-chloro-3-fluorophenoxy)quinolin-8-amine
PubChem CID83060401
Molecular FormulaC15H10ClFN2O
Molecular Weight288.71 g/mol
Exact Mass288.05
IUPAC Name4-(4-chloro-3-fluorophenoxy)quinolin-8-amine
SMILESNc1cccc2c(Oc3ccc(Cl)c(F)c3)ccnc12
InChIInChI=1S/C15H10ClFN2O/c16-11-5-4-9(8-12(11)17)20-14-6-7-19-15-10(14)2-1-3-13(15)18/h1-8H,18H2
InChIKeyQAVDTFZHPAADEP-UHFFFAOYSA-N
XLogP4.40
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.71
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(3,4-dichlorophenoxy)quinolin-8-amine
CID 83060695
4-(3-bromophenoxy)quinolin-8-amine
CID 83060320
4-(3-methylphenoxy)quinolin-8-amine
CID 83061210
4-[4-(trifluoromethyl)phenoxy]quinolin-8-amine
CID 71678550
4-(4-methylsulfanylphenoxy)quinolin-8-amine
CID 83060179
4-(2,3-dihydro-1H-inden-5-yloxy)quinolin-8-amine
CID 83066371
4-(4-chloro-2-methylphenoxy)quinolin-8-amine
CID 83060835
[3-(8-aminoquinolin-4-yl)oxyphenyl]methanol
CID 83060557
5-(4-chlorophenoxy)quinolin-8-amine
CID 43449608
4-[2-fluoro-5-(trifluoromethyl)phenoxy]quinolin-8-amine
CID 86692246
4-[3-(methoxymethyl)phenoxy]quinolin-8-amine
CID 83066383
4-(4-chloro-3-fluorophenoxy)-2,1,3-benzoxadiazol-7-amine
CID 82717264

Frequently Asked Questions

What is the IUPAC name of 4-(4-chloro-3-fluorophenoxy)quinolin-8-amine?
The IUPAC name of 4-(4-chloro-3-fluorophenoxy)quinolin-8-amine (CID 83060401) is 4-(4-chloro-3-fluorophenoxy)quinolin-8-amine.
What is the SMILES notation for 4-(4-chloro-3-fluorophenoxy)quinolin-8-amine?
The canonical SMILES for 4-(4-chloro-3-fluorophenoxy)quinolin-8-amine is Nc1cccc2c(Oc3ccc(Cl)c(F)c3)ccnc12.
What is the InChIKey of 4-(4-chloro-3-fluorophenoxy)quinolin-8-amine?
The InChIKey is QAVDTFZHPAADEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClFN2O/c16-11-5-4-9(8-12(11)17)20-14-6-7-19-15-10(14)2-1-3-13(15)18/h1-8H,18H2.
What are the key properties of 4-(4-chloro-3-fluorophenoxy)quinolin-8-amine?
4-(4-chloro-3-fluorophenoxy)quinolin-8-amine has a molecular weight of 288.71 g/mol, XLogP of 4.40, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloro-3-fluorophenoxy)quinolin-8-amine is sourced from PubChem (CID 83060401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).