5-[4-(hydroxymethyl)-5,6,7-trimethoxyquinolin-2-yl]-2-methoxyphenol

C20H21NO6 — CID 127030573

IUPAC5-[4-(hydroxymethyl)-5,6,7-trimethoxyquinolin-2-yl]-2-methoxyphenol
SMILESCOc1ccc(-c2cc(CO)c3c(OC)c(OC)c(OC)cc3n2)cc1O
InChIInChI=1S/C20H21NO6/c1-24-16-6-5-11(8-15(16)23)13-7-12(10-22)18-14(21-13)9-17(25-2)19(26-3)20(18)27-4/h5-9,22-23H,10H2,1-4H3
InChIKeyKFDORXQXHFHCDC-UHFFFAOYSA-N
MW371.39 g/mol
LogP3.13
Rot. Bonds6

About 5-[4-(hydroxymethyl)-5,6,7-trimethoxyquinolin-2-yl]-2-methoxyphenol

5-[4-(hydroxymethyl)-5,6,7-trimethoxyquinolin-2-yl]-2-methoxyphenol (PubChem CID 127030573) has the molecular formula C20H21NO6 and a molecular weight of 371.39 g/mol. Its IUPAC name is 5-[4-(hydroxymethyl)-5,6,7-trimethoxyquinolin-2-yl]-2-methoxyphenol.

Molecular Properties

Compound Name5-[4-(hydroxymethyl)-5,6,7-trimethoxyquinolin-2-yl]-2-methoxyphenol
PubChem CID127030573
Molecular FormulaC20H21NO6
Molecular Weight371.39 g/mol
Exact Mass371.14
IUPAC Name5-[4-(hydroxymethyl)-5,6,7-trimethoxyquinolin-2-yl]-2-methoxyphenol
SMILESCOc1ccc(-c2cc(CO)c3c(OC)c(OC)c(OC)cc3n2)cc1O
InChIInChI=1S/C20H21NO6/c1-24-16-6-5-11(8-15(16)23)13-7-12(10-22)18-14(21-13)9-17(25-2)19(26-3)20(18)27-4/h5-9,22-23H,10H2,1-4H3
InChIKeyKFDORXQXHFHCDC-UHFFFAOYSA-N
XLogP3.13
TPSA90.27 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.39
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 5-[4-(hydroxymethyl)-5,6,7-trimethoxyquinolin-2-yl]-2-methoxyphenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[4-(hydroxymethyl)-5,6,7-trimethoxyquinolin-2-yl]-2-methoxyphenol?
The IUPAC name of 5-[4-(hydroxymethyl)-5,6,7-trimethoxyquinolin-2-yl]-2-methoxyphenol (CID 127030573) is 5-[4-(hydroxymethyl)-5,6,7-trimethoxyquinolin-2-yl]-2-methoxyphenol.
What is the SMILES notation for 5-[4-(hydroxymethyl)-5,6,7-trimethoxyquinolin-2-yl]-2-methoxyphenol?
The canonical SMILES for 5-[4-(hydroxymethyl)-5,6,7-trimethoxyquinolin-2-yl]-2-methoxyphenol is COc1ccc(-c2cc(CO)c3c(OC)c(OC)c(OC)cc3n2)cc1O.
What is the InChIKey of 5-[4-(hydroxymethyl)-5,6,7-trimethoxyquinolin-2-yl]-2-methoxyphenol?
The InChIKey is KFDORXQXHFHCDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO6/c1-24-16-6-5-11(8-15(16)23)13-7-12(10-22)18-14(21-13)9-17(25-2)19(26-3)20(18)27-4/h5-9,22-23H,10H2,1-4H3.
What are the key properties of 5-[4-(hydroxymethyl)-5,6,7-trimethoxyquinolin-2-yl]-2-methoxyphenol?
5-[4-(hydroxymethyl)-5,6,7-trimethoxyquinolin-2-yl]-2-methoxyphenol has a molecular weight of 371.39 g/mol, XLogP of 3.13, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(hydroxymethyl)-5,6,7-trimethoxyquinolin-2-yl]-2-methoxyphenol is sourced from PubChem (CID 127030573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).