[2-(3,4-dimethoxyphenyl)-5,6,7-trimethoxyquinolin-4-yl]methanol

C21H23NO6 — CID 127031373

IUPAC[2-(3,4-dimethoxyphenyl)-5,6,7-trimethoxyquinolin-4-yl]methanol
SMILESCOc1ccc(-c2cc(CO)c3c(OC)c(OC)c(OC)cc3n2)cc1OC
InChIInChI=1S/C21H23NO6/c1-24-16-7-6-12(9-17(16)25-2)14-8-13(11-23)19-15(22-14)10-18(26-3)20(27-4)21(19)28-5/h6-10,23H,11H2,1-5H3
InChIKeyDFWXFQXTVWBMCD-UHFFFAOYSA-N
MW385.42 g/mol
LogP3.44
Rot. Bonds7

About [2-(3,4-dimethoxyphenyl)-5,6,7-trimethoxyquinolin-4-yl]methanol

[2-(3,4-dimethoxyphenyl)-5,6,7-trimethoxyquinolin-4-yl]methanol (PubChem CID 127031373) has the molecular formula C21H23NO6 and a molecular weight of 385.42 g/mol. Its IUPAC name is [2-(3,4-dimethoxyphenyl)-5,6,7-trimethoxyquinolin-4-yl]methanol.

Molecular Properties

Compound Name[2-(3,4-dimethoxyphenyl)-5,6,7-trimethoxyquinolin-4-yl]methanol
PubChem CID127031373
Molecular FormulaC21H23NO6
Molecular Weight385.42 g/mol
Exact Mass385.15
IUPAC Name[2-(3,4-dimethoxyphenyl)-5,6,7-trimethoxyquinolin-4-yl]methanol
SMILESCOc1ccc(-c2cc(CO)c3c(OC)c(OC)c(OC)cc3n2)cc1OC
InChIInChI=1S/C21H23NO6/c1-24-16-7-6-12(9-17(16)25-2)14-8-13(11-23)19-15(22-14)10-18(26-3)20(27-4)21(19)28-5/h6-10,23H,11H2,1-5H3
InChIKeyDFWXFQXTVWBMCD-UHFFFAOYSA-N
XLogP3.44
TPSA79.27 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.42
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [2-(3,4-dimethoxyphenyl)-5,6,7-trimethoxyquinolin-4-yl]methanol?
The IUPAC name of [2-(3,4-dimethoxyphenyl)-5,6,7-trimethoxyquinolin-4-yl]methanol (CID 127031373) is [2-(3,4-dimethoxyphenyl)-5,6,7-trimethoxyquinolin-4-yl]methanol.
What is the SMILES notation for [2-(3,4-dimethoxyphenyl)-5,6,7-trimethoxyquinolin-4-yl]methanol?
The canonical SMILES for [2-(3,4-dimethoxyphenyl)-5,6,7-trimethoxyquinolin-4-yl]methanol is COc1ccc(-c2cc(CO)c3c(OC)c(OC)c(OC)cc3n2)cc1OC.
What is the InChIKey of [2-(3,4-dimethoxyphenyl)-5,6,7-trimethoxyquinolin-4-yl]methanol?
The InChIKey is DFWXFQXTVWBMCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO6/c1-24-16-7-6-12(9-17(16)25-2)14-8-13(11-23)19-15(22-14)10-18(26-3)20(27-4)21(19)28-5/h6-10,23H,11H2,1-5H3.
What are the key properties of [2-(3,4-dimethoxyphenyl)-5,6,7-trimethoxyquinolin-4-yl]methanol?
[2-(3,4-dimethoxyphenyl)-5,6,7-trimethoxyquinolin-4-yl]methanol has a molecular weight of 385.42 g/mol, XLogP of 3.44, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,4-dimethoxyphenyl)-5,6,7-trimethoxyquinolin-4-yl]methanol is sourced from PubChem (CID 127031373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).