[2-(5-chloroquinolin-8-yl)oxy-5-fluorophenyl]methanamine

C16H12ClFN2O — CID 43314287

IUPAC[2-(5-chloroquinolin-8-yl)oxy-5-fluorophenyl]methanamine
SMILESNCc1cc(F)ccc1Oc1ccc(Cl)c2cccnc12
InChIInChI=1S/C16H12ClFN2O/c17-13-4-6-15(16-12(13)2-1-7-20-16)21-14-5-3-11(18)8-10(14)9-19/h1-8H,9,19H2
InChIKeyVXOZNIFPNXATII-UHFFFAOYSA-N
MW302.74 g/mol
LogP4.28
Rot. Bonds3

About [2-(5-chloroquinolin-8-yl)oxy-5-fluorophenyl]methanamine

[2-(5-chloroquinolin-8-yl)oxy-5-fluorophenyl]methanamine (PubChem CID 43314287) has the molecular formula C16H12ClFN2O and a molecular weight of 302.74 g/mol. Its IUPAC name is [2-(5-chloroquinolin-8-yl)oxy-5-fluorophenyl]methanamine.

Molecular Properties

Compound Name[2-(5-chloroquinolin-8-yl)oxy-5-fluorophenyl]methanamine
PubChem CID43314287
Molecular FormulaC16H12ClFN2O
Molecular Weight302.74 g/mol
Exact Mass302.06
IUPAC Name[2-(5-chloroquinolin-8-yl)oxy-5-fluorophenyl]methanamine
SMILESNCc1cc(F)ccc1Oc1ccc(Cl)c2cccnc12
InChIInChI=1S/C16H12ClFN2O/c17-13-4-6-15(16-12(13)2-1-7-20-16)21-14-5-3-11(18)8-10(14)9-19/h1-8H,9,19H2
InChIKeyVXOZNIFPNXATII-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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Related Compounds

[2-(2-chlorophenoxy)-5-fluorophenyl]methanamine
CID 43314193
[3-bromo-4-(5-chloroquinolin-8-yl)oxyphenyl]methanamine
CID 82784965
[3-(5-chloroquinolin-8-yl)oxypyridazin-4-yl]methanamine
CID 80507747
5-chloro-8-[3-(chloromethyl)-5-fluorophenoxy]quinoline
CID 106530629
[5-fluoro-2-(quinolin-8-ylmethoxy)phenyl]methanamine
CID 107695009
[1-[(2-chloro-5-fluorophenyl)methyl]pyrrolo[2,3-b]pyridin-3-yl]methanamine
CID 102617098
5-(5-chloroquinolin-8-yl)oxypentan-1-amine
CID 54965610
5-chloro-N-[(2,5-difluorophenyl)methyl]quinolin-8-amine
CID 60927464
CID 12945983
CID 12945983
2-(5-chloroquinolin-8-yl)oxy-3,3,3-trifluoropropan-1-amine
CID 43752905
[1-(2-chloro-4-fluorophenoxy)isoquinolin-4-yl]methanamine
CID 106777368
[5-[(5-chloroquinolin-8-yl)oxymethyl]thiophen-2-yl]methanamine
CID 107558658

Frequently Asked Questions

What is the IUPAC name of [2-(5-chloroquinolin-8-yl)oxy-5-fluorophenyl]methanamine?
The IUPAC name of [2-(5-chloroquinolin-8-yl)oxy-5-fluorophenyl]methanamine (CID 43314287) is [2-(5-chloroquinolin-8-yl)oxy-5-fluorophenyl]methanamine.
What is the SMILES notation for [2-(5-chloroquinolin-8-yl)oxy-5-fluorophenyl]methanamine?
The canonical SMILES for [2-(5-chloroquinolin-8-yl)oxy-5-fluorophenyl]methanamine is NCc1cc(F)ccc1Oc1ccc(Cl)c2cccnc12.
What is the InChIKey of [2-(5-chloroquinolin-8-yl)oxy-5-fluorophenyl]methanamine?
The InChIKey is VXOZNIFPNXATII-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClFN2O/c17-13-4-6-15(16-12(13)2-1-7-20-16)21-14-5-3-11(18)8-10(14)9-19/h1-8H,9,19H2.
What are the key properties of [2-(5-chloroquinolin-8-yl)oxy-5-fluorophenyl]methanamine?
[2-(5-chloroquinolin-8-yl)oxy-5-fluorophenyl]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-(5-chloroquinolin-8-yl)oxy-5-fluorophenyl]methanamine is sourced from PubChem (CID 43314287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).