3-fluoro-4-(quinolin-4-ylmethoxy)aniline

C16H13FN2O — CID 79235627

IUPAC3-fluoro-4-(quinolin-4-ylmethoxy)aniline
SMILESNc1ccc(OCc2ccnc3ccccc23)c(F)c1
InChIInChI=1S/C16H13FN2O/c17-14-9-12(18)5-6-16(14)20-10-11-7-8-19-15-4-2-1-3-13(11)15/h1-9H,10,18H2
InChIKeyAEZKHWKEJXBVBW-UHFFFAOYSA-N
MW268.29 g/mol
LogP3.54
Rot. Bonds3

About 3-fluoro-4-(quinolin-4-ylmethoxy)aniline

3-fluoro-4-(quinolin-4-ylmethoxy)aniline (PubChem CID 79235627) has the molecular formula C16H13FN2O and a molecular weight of 268.29 g/mol. Its IUPAC name is 3-fluoro-4-(quinolin-4-ylmethoxy)aniline.

Molecular Properties

Compound Name3-fluoro-4-(quinolin-4-ylmethoxy)aniline
PubChem CID79235627
Molecular FormulaC16H13FN2O
Molecular Weight268.29 g/mol
Exact Mass268.10
IUPAC Name3-fluoro-4-(quinolin-4-ylmethoxy)aniline
SMILESNc1ccc(OCc2ccnc3ccccc23)c(F)c1
InChIInChI=1S/C16H13FN2O/c17-14-9-12(18)5-6-16(14)20-10-11-7-8-19-15-4-2-1-3-13(11)15/h1-9H,10,18H2
InChIKeyAEZKHWKEJXBVBW-UHFFFAOYSA-N
XLogP3.54
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.29
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-(quinolin-4-ylmethoxy)aniline?
The IUPAC name of 3-fluoro-4-(quinolin-4-ylmethoxy)aniline (CID 79235627) is 3-fluoro-4-(quinolin-4-ylmethoxy)aniline.
What is the SMILES notation for 3-fluoro-4-(quinolin-4-ylmethoxy)aniline?
The canonical SMILES for 3-fluoro-4-(quinolin-4-ylmethoxy)aniline is Nc1ccc(OCc2ccnc3ccccc23)c(F)c1.
What is the InChIKey of 3-fluoro-4-(quinolin-4-ylmethoxy)aniline?
The InChIKey is AEZKHWKEJXBVBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN2O/c17-14-9-12(18)5-6-16(14)20-10-11-7-8-19-15-4-2-1-3-13(11)15/h1-9H,10,18H2.
What are the key properties of 3-fluoro-4-(quinolin-4-ylmethoxy)aniline?
3-fluoro-4-(quinolin-4-ylmethoxy)aniline has a molecular weight of 268.29 g/mol, XLogP of 3.54, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-(quinolin-4-ylmethoxy)aniline is sourced from PubChem (CID 79235627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).