5-fluoro-4-methyl-2-quinolin-7-yloxyaniline

C16H13FN2O — CID 107313172

IUPAC5-fluoro-4-methyl-2-quinolin-7-yloxyaniline
SMILESCc1cc(Oc2ccc3cccnc3c2)c(N)cc1F
InChIInChI=1S/C16H13FN2O/c1-10-7-16(14(18)9-13(10)17)20-12-5-4-11-3-2-6-19-15(11)8-12/h2-9H,18H2,1H3
InChIKeyIMLVNVSWUOKMKU-UHFFFAOYSA-N
MW268.29 g/mol
LogP4.06
Rot. Bonds2

About 5-fluoro-4-methyl-2-quinolin-7-yloxyaniline

5-fluoro-4-methyl-2-quinolin-7-yloxyaniline (PubChem CID 107313172) has the molecular formula C16H13FN2O and a molecular weight of 268.29 g/mol. Its IUPAC name is 5-fluoro-4-methyl-2-quinolin-7-yloxyaniline.

Molecular Properties

Compound Name5-fluoro-4-methyl-2-quinolin-7-yloxyaniline
PubChem CID107313172
Molecular FormulaC16H13FN2O
Molecular Weight268.29 g/mol
Exact Mass268.10
IUPAC Name5-fluoro-4-methyl-2-quinolin-7-yloxyaniline
SMILESCc1cc(Oc2ccc3cccnc3c2)c(N)cc1F
InChIInChI=1S/C16H13FN2O/c1-10-7-16(14(18)9-13(10)17)20-12-5-4-11-3-2-6-19-15(11)8-12/h2-9H,18H2,1H3
InChIKeyIMLVNVSWUOKMKU-UHFFFAOYSA-N
XLogP4.06
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.29
LogP ≤ 54.06
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 5-fluoro-4-methyl-2-quinolin-7-yloxyaniline?
The IUPAC name of 5-fluoro-4-methyl-2-quinolin-7-yloxyaniline (CID 107313172) is 5-fluoro-4-methyl-2-quinolin-7-yloxyaniline.
What is the SMILES notation for 5-fluoro-4-methyl-2-quinolin-7-yloxyaniline?
The canonical SMILES for 5-fluoro-4-methyl-2-quinolin-7-yloxyaniline is Cc1cc(Oc2ccc3cccnc3c2)c(N)cc1F.
What is the InChIKey of 5-fluoro-4-methyl-2-quinolin-7-yloxyaniline?
The InChIKey is IMLVNVSWUOKMKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN2O/c1-10-7-16(14(18)9-13(10)17)20-12-5-4-11-3-2-6-19-15(11)8-12/h2-9H,18H2,1H3.
What are the key properties of 5-fluoro-4-methyl-2-quinolin-7-yloxyaniline?
5-fluoro-4-methyl-2-quinolin-7-yloxyaniline has a molecular weight of 268.29 g/mol, XLogP of 4.06, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-methyl-2-quinolin-7-yloxyaniline is sourced from PubChem (CID 107313172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).