[7-(3,4-dimethoxyphenyl)-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-9-yl]methanol

C20H19NO5 — CID 134130323

IUPAC[7-(3,4-dimethoxyphenyl)-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-9-yl]methanol
SMILESCOc1ccc(-c2cc(CO)c3cc4c(cc3n2)OCCO4)cc1OC
InChIInChI=1S/C20H19NO5/c1-23-17-4-3-12(8-18(17)24-2)15-7-13(11-22)14-9-19-20(10-16(14)21-15)26-6-5-25-19/h3-4,7-10,22H,5-6,11H2,1-2H3
InChIKeyWWZJLLLAXLYHJO-UHFFFAOYSA-N
MW353.37 g/mol
LogP3.18
Rot. Bonds4

About [7-(3,4-dimethoxyphenyl)-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-9-yl]methanol

[7-(3,4-dimethoxyphenyl)-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-9-yl]methanol (PubChem CID 134130323) has the molecular formula C20H19NO5 and a molecular weight of 353.37 g/mol. Its IUPAC name is [7-(3,4-dimethoxyphenyl)-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-9-yl]methanol.

Molecular Properties

Compound Name[7-(3,4-dimethoxyphenyl)-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-9-yl]methanol
PubChem CID134130323
Molecular FormulaC20H19NO5
Molecular Weight353.37 g/mol
Exact Mass353.13
IUPAC Name[7-(3,4-dimethoxyphenyl)-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-9-yl]methanol
SMILESCOc1ccc(-c2cc(CO)c3cc4c(cc3n2)OCCO4)cc1OC
InChIInChI=1S/C20H19NO5/c1-23-17-4-3-12(8-18(17)24-2)15-7-13(11-22)14-9-19-20(10-16(14)21-15)26-6-5-25-19/h3-4,7-10,22H,5-6,11H2,1-2H3
InChIKeyWWZJLLLAXLYHJO-UHFFFAOYSA-N
XLogP3.18
TPSA70.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.37
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [7-(3,4-dimethoxyphenyl)-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-9-yl]methanol 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 [7-(3,4-dimethoxyphenyl)-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-9-yl]methanol?
The IUPAC name of [7-(3,4-dimethoxyphenyl)-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-9-yl]methanol (CID 134130323) is [7-(3,4-dimethoxyphenyl)-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-9-yl]methanol.
What is the SMILES notation for [7-(3,4-dimethoxyphenyl)-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-9-yl]methanol?
The canonical SMILES for [7-(3,4-dimethoxyphenyl)-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-9-yl]methanol is COc1ccc(-c2cc(CO)c3cc4c(cc3n2)OCCO4)cc1OC.
What is the InChIKey of [7-(3,4-dimethoxyphenyl)-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-9-yl]methanol?
The InChIKey is WWZJLLLAXLYHJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO5/c1-23-17-4-3-12(8-18(17)24-2)15-7-13(11-22)14-9-19-20(10-16(14)21-15)26-6-5-25-19/h3-4,7-10,22H,5-6,11H2,1-2H3.
What are the key properties of [7-(3,4-dimethoxyphenyl)-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-9-yl]methanol?
[7-(3,4-dimethoxyphenyl)-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-9-yl]methanol has a molecular weight of 353.37 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [7-(3,4-dimethoxyphenyl)-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-9-yl]methanol is sourced from PubChem (CID 134130323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).