3-[(4-fluorophenyl)methyl]-5-methoxy-7-(methoxymethyl)-6-(methylaminomethyl)quinolin-8-ol

C21H23FN2O3 — CID 71156921

IUPAC3-[(4-fluorophenyl)methyl]-5-methoxy-7-(methoxymethyl)-6-(methylaminomethyl)quinolin-8-ol
SMILESCNCc1c(COC)c(O)c2ncc(Cc3ccc(F)cc3)cc2c1OC
InChIInChI=1S/C21H23FN2O3/c1-23-11-17-18(12-26-2)20(25)19-16(21(17)27-3)9-14(10-24-19)8-13-4-6-15(22)7-5-13/h4-7,9-10,23,25H,8,11-12H2,1-3H3
InChIKeyXWGVYXUNCCPEBX-UHFFFAOYSA-N
MW370.42 g/mol
LogP3.54
Rot. Bonds7

About 3-[(4-fluorophenyl)methyl]-5-methoxy-7-(methoxymethyl)-6-(methylaminomethyl)quinolin-8-ol

3-[(4-fluorophenyl)methyl]-5-methoxy-7-(methoxymethyl)-6-(methylaminomethyl)quinolin-8-ol (PubChem CID 71156921) has the molecular formula C21H23FN2O3 and a molecular weight of 370.42 g/mol. Its IUPAC name is 3-[(4-fluorophenyl)methyl]-5-methoxy-7-(methoxymethyl)-6-(methylaminomethyl)quinolin-8-ol.

Molecular Properties

Compound Name3-[(4-fluorophenyl)methyl]-5-methoxy-7-(methoxymethyl)-6-(methylaminomethyl)quinolin-8-ol
PubChem CID71156921
Molecular FormulaC21H23FN2O3
Molecular Weight370.42 g/mol
Exact Mass370.17
IUPAC Name3-[(4-fluorophenyl)methyl]-5-methoxy-7-(methoxymethyl)-6-(methylaminomethyl)quinolin-8-ol
SMILESCNCc1c(COC)c(O)c2ncc(Cc3ccc(F)cc3)cc2c1OC
InChIInChI=1S/C21H23FN2O3/c1-23-11-17-18(12-26-2)20(25)19-16(21(17)27-3)9-14(10-24-19)8-13-4-6-15(22)7-5-13/h4-7,9-10,23,25H,8,11-12H2,1-3H3
InChIKeyXWGVYXUNCCPEBX-UHFFFAOYSA-N
XLogP3.54
TPSA63.61 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.42
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-fluorophenyl)methyl]-5-methoxy-7-(methoxymethyl)-6-(methylaminomethyl)quinolin-8-ol?
The IUPAC name of 3-[(4-fluorophenyl)methyl]-5-methoxy-7-(methoxymethyl)-6-(methylaminomethyl)quinolin-8-ol (CID 71156921) is 3-[(4-fluorophenyl)methyl]-5-methoxy-7-(methoxymethyl)-6-(methylaminomethyl)quinolin-8-ol.
What is the SMILES notation for 3-[(4-fluorophenyl)methyl]-5-methoxy-7-(methoxymethyl)-6-(methylaminomethyl)quinolin-8-ol?
The canonical SMILES for 3-[(4-fluorophenyl)methyl]-5-methoxy-7-(methoxymethyl)-6-(methylaminomethyl)quinolin-8-ol is CNCc1c(COC)c(O)c2ncc(Cc3ccc(F)cc3)cc2c1OC.
What is the InChIKey of 3-[(4-fluorophenyl)methyl]-5-methoxy-7-(methoxymethyl)-6-(methylaminomethyl)quinolin-8-ol?
The InChIKey is XWGVYXUNCCPEBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN2O3/c1-23-11-17-18(12-26-2)20(25)19-16(21(17)27-3)9-14(10-24-19)8-13-4-6-15(22)7-5-13/h4-7,9-10,23,25H,8,11-12H2,1-3H3.
What are the key properties of 3-[(4-fluorophenyl)methyl]-5-methoxy-7-(methoxymethyl)-6-(methylaminomethyl)quinolin-8-ol?
3-[(4-fluorophenyl)methyl]-5-methoxy-7-(methoxymethyl)-6-(methylaminomethyl)quinolin-8-ol has a molecular weight of 370.42 g/mol, XLogP of 3.54, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-fluorophenyl)methyl]-5-methoxy-7-(methoxymethyl)-6-(methylaminomethyl)quinolin-8-ol is sourced from PubChem (CID 71156921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).