[2-(2-chloro-4-fluorophenoxy)quinolin-3-yl]methanamine

C16H12ClFN2O — CID 60966141

IUPAC[2-(2-chloro-4-fluorophenoxy)quinolin-3-yl]methanamine
SMILESNCc1cc2ccccc2nc1Oc1ccc(F)cc1Cl
InChIInChI=1S/C16H12ClFN2O/c17-13-8-12(18)5-6-15(13)21-16-11(9-19)7-10-3-1-2-4-14(10)20-16/h1-8H,9,19H2
InChIKeyJPBOCODUCFXGGA-UHFFFAOYSA-N
MW302.74 g/mol
LogP4.28
Rot. Bonds3

About [2-(2-chloro-4-fluorophenoxy)quinolin-3-yl]methanamine

[2-(2-chloro-4-fluorophenoxy)quinolin-3-yl]methanamine (PubChem CID 60966141) has the molecular formula C16H12ClFN2O and a molecular weight of 302.74 g/mol. Its IUPAC name is [2-(2-chloro-4-fluorophenoxy)quinolin-3-yl]methanamine.

Molecular Properties

Compound Name[2-(2-chloro-4-fluorophenoxy)quinolin-3-yl]methanamine
PubChem CID60966141
Molecular FormulaC16H12ClFN2O
Molecular Weight302.74 g/mol
Exact Mass302.06
IUPAC Name[2-(2-chloro-4-fluorophenoxy)quinolin-3-yl]methanamine
SMILESNCc1cc2ccccc2nc1Oc1ccc(F)cc1Cl
InChIInChI=1S/C16H12ClFN2O/c17-13-8-12(18)5-6-15(13)21-16-11(9-19)7-10-3-1-2-4-14(10)20-16/h1-8H,9,19H2
InChIKeyJPBOCODUCFXGGA-UHFFFAOYSA-N
XLogP4.28
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.74
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(2-chloro-4-fluorophenoxy)quinolin-3-yl]methanamine?
The IUPAC name of [2-(2-chloro-4-fluorophenoxy)quinolin-3-yl]methanamine (CID 60966141) is [2-(2-chloro-4-fluorophenoxy)quinolin-3-yl]methanamine.
What is the SMILES notation for [2-(2-chloro-4-fluorophenoxy)quinolin-3-yl]methanamine?
The canonical SMILES for [2-(2-chloro-4-fluorophenoxy)quinolin-3-yl]methanamine is NCc1cc2ccccc2nc1Oc1ccc(F)cc1Cl.
What is the InChIKey of [2-(2-chloro-4-fluorophenoxy)quinolin-3-yl]methanamine?
The InChIKey is JPBOCODUCFXGGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClFN2O/c17-13-8-12(18)5-6-15(13)21-16-11(9-19)7-10-3-1-2-4-14(10)20-16/h1-8H,9,19H2.
What are the key properties of [2-(2-chloro-4-fluorophenoxy)quinolin-3-yl]methanamine?
[2-(2-chloro-4-fluorophenoxy)quinolin-3-yl]methanamine has a molecular weight of 302.74 g/mol, XLogP of 4.28, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-chloro-4-fluorophenoxy)quinolin-3-yl]methanamine is sourced from PubChem (CID 60966141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).