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

C16H12ClFN2O — CID 63879016

IUPAC[2-(3-chloro-4-fluorophenoxy)quinolin-4-yl]methanamine
SMILESNCc1cc(Oc2ccc(F)c(Cl)c2)nc2ccccc12
InChIInChI=1S/C16H12ClFN2O/c17-13-8-11(5-6-14(13)18)21-16-7-10(9-19)12-3-1-2-4-15(12)20-16/h1-8H,9,19H2
InChIKeyMDMNMSFOIJQYME-UHFFFAOYSA-N
MW302.74 g/mol
LogP4.28
Rot. Bonds3

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

[2-(3-chloro-4-fluorophenoxy)quinolin-4-yl]methanamine (PubChem CID 63879016) has the molecular formula C16H12ClFN2O and a molecular weight of 302.74 g/mol. Its IUPAC name is [2-(3-chloro-4-fluorophenoxy)quinolin-4-yl]methanamine.

Molecular Properties

Compound Name[2-(3-chloro-4-fluorophenoxy)quinolin-4-yl]methanamine
PubChem CID63879016
Molecular FormulaC16H12ClFN2O
Molecular Weight302.74 g/mol
Exact Mass302.06
IUPAC Name[2-(3-chloro-4-fluorophenoxy)quinolin-4-yl]methanamine
SMILESNCc1cc(Oc2ccc(F)c(Cl)c2)nc2ccccc12
InChIInChI=1S/C16H12ClFN2O/c17-13-8-11(5-6-14(13)18)21-16-7-10(9-19)12-3-1-2-4-15(12)20-16/h1-8H,9,19H2
InChIKeyMDMNMSFOIJQYME-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-(3-chloro-4-fluorophenoxy)quinolin-4-yl]methanamine?
The IUPAC name of [2-(3-chloro-4-fluorophenoxy)quinolin-4-yl]methanamine (CID 63879016) is [2-(3-chloro-4-fluorophenoxy)quinolin-4-yl]methanamine.
What is the SMILES notation for [2-(3-chloro-4-fluorophenoxy)quinolin-4-yl]methanamine?
The canonical SMILES for [2-(3-chloro-4-fluorophenoxy)quinolin-4-yl]methanamine is NCc1cc(Oc2ccc(F)c(Cl)c2)nc2ccccc12.
What is the InChIKey of [2-(3-chloro-4-fluorophenoxy)quinolin-4-yl]methanamine?
The InChIKey is MDMNMSFOIJQYME-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClFN2O/c17-13-8-11(5-6-14(13)18)21-16-7-10(9-19)12-3-1-2-4-15(12)20-16/h1-8H,9,19H2.
What are the key properties of [2-(3-chloro-4-fluorophenoxy)quinolin-4-yl]methanamine?
[2-(3-chloro-4-fluorophenoxy)quinolin-4-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-(3-chloro-4-fluorophenoxy)quinolin-4-yl]methanamine is sourced from PubChem (CID 63879016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).