2-[[(7-fluoroquinolin-4-yl)amino]methyl]-6-methoxyphenol

C17H15FN2O2 — CID 133448159

IUPAC2-[[(7-fluoroquinolin-4-yl)amino]methyl]-6-methoxyphenol
SMILESCOc1cccc(CNc2ccnc3cc(F)ccc23)c1O
InChIInChI=1S/C17H15FN2O2/c1-22-16-4-2-3-11(17(16)21)10-20-14-7-8-19-15-9-12(18)5-6-13(14)15/h2-9,21H,10H2,1H3,(H,19,20)
InChIKeyTVWKYBFPAHBCLJ-UHFFFAOYSA-N
MW298.32 g/mol
LogP3.70
Rot. Bonds4

About 2-[[(7-fluoroquinolin-4-yl)amino]methyl]-6-methoxyphenol

2-[[(7-fluoroquinolin-4-yl)amino]methyl]-6-methoxyphenol (PubChem CID 133448159) has the molecular formula C17H15FN2O2 and a molecular weight of 298.32 g/mol. Its IUPAC name is 2-[[(7-fluoroquinolin-4-yl)amino]methyl]-6-methoxyphenol.

Molecular Properties

Compound Name2-[[(7-fluoroquinolin-4-yl)amino]methyl]-6-methoxyphenol
PubChem CID133448159
Molecular FormulaC17H15FN2O2
Molecular Weight298.32 g/mol
Exact Mass298.11
IUPAC Name2-[[(7-fluoroquinolin-4-yl)amino]methyl]-6-methoxyphenol
SMILESCOc1cccc(CNc2ccnc3cc(F)ccc23)c1O
InChIInChI=1S/C17H15FN2O2/c1-22-16-4-2-3-11(17(16)21)10-20-14-7-8-19-15-9-12(18)5-6-13(14)15/h2-9,21H,10H2,1H3,(H,19,20)
InChIKeyTVWKYBFPAHBCLJ-UHFFFAOYSA-N
XLogP3.70
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.32
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[(7-fluoroquinolin-4-yl)amino]methyl]-6-methoxyphenol?
The IUPAC name of 2-[[(7-fluoroquinolin-4-yl)amino]methyl]-6-methoxyphenol (CID 133448159) is 2-[[(7-fluoroquinolin-4-yl)amino]methyl]-6-methoxyphenol.
What is the SMILES notation for 2-[[(7-fluoroquinolin-4-yl)amino]methyl]-6-methoxyphenol?
The canonical SMILES for 2-[[(7-fluoroquinolin-4-yl)amino]methyl]-6-methoxyphenol is COc1cccc(CNc2ccnc3cc(F)ccc23)c1O.
What is the InChIKey of 2-[[(7-fluoroquinolin-4-yl)amino]methyl]-6-methoxyphenol?
The InChIKey is TVWKYBFPAHBCLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN2O2/c1-22-16-4-2-3-11(17(16)21)10-20-14-7-8-19-15-9-12(18)5-6-13(14)15/h2-9,21H,10H2,1H3,(H,19,20).
What are the key properties of 2-[[(7-fluoroquinolin-4-yl)amino]methyl]-6-methoxyphenol?
2-[[(7-fluoroquinolin-4-yl)amino]methyl]-6-methoxyphenol has a molecular weight of 298.32 g/mol, XLogP of 3.70, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(7-fluoroquinolin-4-yl)amino]methyl]-6-methoxyphenol is sourced from PubChem (CID 133448159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).