[2-(3-fluoro-4-methoxyphenyl)-6-(hydroxymethyl)-5-methoxyquinolin-7-yl]methanol

C19H18FNO4 — CID 58506572

IUPAC[2-(3-fluoro-4-methoxyphenyl)-6-(hydroxymethyl)-5-methoxyquinolin-7-yl]methanol
SMILESCOc1ccc(-c2ccc3c(OC)c(CO)c(CO)cc3n2)cc1F
InChIInChI=1S/C19H18FNO4/c1-24-18-6-3-11(7-15(18)20)16-5-4-13-17(21-16)8-12(9-22)14(10-23)19(13)25-2/h3-8,22-23H,9-10H2,1-2H3
InChIKeyXRKMVCHERCDYFD-UHFFFAOYSA-N
MW343.35 g/mol
LogP3.04
Rot. Bonds5

About [2-(3-fluoro-4-methoxyphenyl)-6-(hydroxymethyl)-5-methoxyquinolin-7-yl]methanol

[2-(3-fluoro-4-methoxyphenyl)-6-(hydroxymethyl)-5-methoxyquinolin-7-yl]methanol (PubChem CID 58506572) has the molecular formula C19H18FNO4 and a molecular weight of 343.35 g/mol. Its IUPAC name is [2-(3-fluoro-4-methoxyphenyl)-6-(hydroxymethyl)-5-methoxyquinolin-7-yl]methanol.

Molecular Properties

Compound Name[2-(3-fluoro-4-methoxyphenyl)-6-(hydroxymethyl)-5-methoxyquinolin-7-yl]methanol
PubChem CID58506572
Molecular FormulaC19H18FNO4
Molecular Weight343.35 g/mol
Exact Mass343.12
IUPAC Name[2-(3-fluoro-4-methoxyphenyl)-6-(hydroxymethyl)-5-methoxyquinolin-7-yl]methanol
SMILESCOc1ccc(-c2ccc3c(OC)c(CO)c(CO)cc3n2)cc1F
InChIInChI=1S/C19H18FNO4/c1-24-18-6-3-11(7-15(18)20)16-5-4-13-17(21-16)8-12(9-22)14(10-23)19(13)25-2/h3-8,22-23H,9-10H2,1-2H3
InChIKeyXRKMVCHERCDYFD-UHFFFAOYSA-N
XLogP3.04
TPSA71.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.35
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-(3-fluoro-4-methoxyphenyl)-6-(hydroxymethyl)-5-methoxyquinolin-7-yl]methanol?
The IUPAC name of [2-(3-fluoro-4-methoxyphenyl)-6-(hydroxymethyl)-5-methoxyquinolin-7-yl]methanol (CID 58506572) is [2-(3-fluoro-4-methoxyphenyl)-6-(hydroxymethyl)-5-methoxyquinolin-7-yl]methanol.
What is the SMILES notation for [2-(3-fluoro-4-methoxyphenyl)-6-(hydroxymethyl)-5-methoxyquinolin-7-yl]methanol?
The canonical SMILES for [2-(3-fluoro-4-methoxyphenyl)-6-(hydroxymethyl)-5-methoxyquinolin-7-yl]methanol is COc1ccc(-c2ccc3c(OC)c(CO)c(CO)cc3n2)cc1F.
What is the InChIKey of [2-(3-fluoro-4-methoxyphenyl)-6-(hydroxymethyl)-5-methoxyquinolin-7-yl]methanol?
The InChIKey is XRKMVCHERCDYFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FNO4/c1-24-18-6-3-11(7-15(18)20)16-5-4-13-17(21-16)8-12(9-22)14(10-23)19(13)25-2/h3-8,22-23H,9-10H2,1-2H3.
What are the key properties of [2-(3-fluoro-4-methoxyphenyl)-6-(hydroxymethyl)-5-methoxyquinolin-7-yl]methanol?
[2-(3-fluoro-4-methoxyphenyl)-6-(hydroxymethyl)-5-methoxyquinolin-7-yl]methanol has a molecular weight of 343.35 g/mol, XLogP of 3.04, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-fluoro-4-methoxyphenyl)-6-(hydroxymethyl)-5-methoxyquinolin-7-yl]methanol is sourced from PubChem (CID 58506572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).