8-[(4-methoxyphenyl)methyl]-[1,3]dioxolo[4,5-g]quinoline

C18H15NO3 — CID 91664973

IUPAC8-[(4-methoxyphenyl)methyl]-[1,3]dioxolo[4,5-g]quinoline
SMILESCOc1ccc(Cc2ccnc3cc4c(cc23)OCO4)cc1
InChIInChI=1S/C18H15NO3/c1-20-14-4-2-12(3-5-14)8-13-6-7-19-16-10-18-17(9-15(13)16)21-11-22-18/h2-7,9-10H,8,11H2,1H3
InChIKeyCJBWINNJGFHYPJ-UHFFFAOYSA-N
MW293.32 g/mol
LogP3.56
Rot. Bonds3

About 8-[(4-methoxyphenyl)methyl]-[1,3]dioxolo[4,5-g]quinoline

8-[(4-methoxyphenyl)methyl]-[1,3]dioxolo[4,5-g]quinoline (PubChem CID 91664973) has the molecular formula C18H15NO3 and a molecular weight of 293.32 g/mol. Its IUPAC name is 8-[(4-methoxyphenyl)methyl]-[1,3]dioxolo[4,5-g]quinoline.

Molecular Properties

Compound Name8-[(4-methoxyphenyl)methyl]-[1,3]dioxolo[4,5-g]quinoline
PubChem CID91664973
Molecular FormulaC18H15NO3
Molecular Weight293.32 g/mol
Exact Mass293.11
IUPAC Name8-[(4-methoxyphenyl)methyl]-[1,3]dioxolo[4,5-g]quinoline
SMILESCOc1ccc(Cc2ccnc3cc4c(cc23)OCO4)cc1
InChIInChI=1S/C18H15NO3/c1-20-14-4-2-12(3-5-14)8-13-6-7-19-16-10-18-17(9-15(13)16)21-11-22-18/h2-7,9-10H,8,11H2,1H3
InChIKeyCJBWINNJGFHYPJ-UHFFFAOYSA-N
XLogP3.56
TPSA40.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(4-methoxyphenyl)methyl]-6-(3-methylbutoxy)-1,3-benzodioxole
CID 13035011
3-[4-[(7-methoxyquinolin-4-yl)methyl]anilino]propan-1-ol
CID 142073498
N-(4-methoxyphenyl)-[1,3]dioxolo[4,5-g]quinazolin-8-amine
CID 66554700
4-[(4-methoxyphenyl)methyl]-7-methyl-1,10-phenanthroline
CID 91137148
4-[(4-methoxyphenyl)methyl]-2-methylpyridin-3-ol
CID 67303817
N-(1,3-benzodioxol-5-ylmethyl)-N-(2,2-dimethylpropyl)-4-methoxyaniline
CID 154621335
9-[(4-methoxyphenyl)methyl]-[1,3]dioxolo[4,5-f]quinoline-7-carboxamide
CID 57044861
2-(1,3-benzodioxol-5-yl)-1-(4-methoxyphenyl)-N-methylethanamine
CID 90665682
1-(1,3-benzodioxol-5-yl)-N-[(2-methoxy-4-pyridinyl)methyl]methanamine
CID 62991279
4-[(6,7-diethylquinolin-4-yl)methyl]-N-methylaniline
CID 138565009
N-(1,3-benzodioxol-4-yl)-6-methoxyquinolin-4-amine
CID 154343278
6-(4-ethoxyphenyl)-8-methyl-[1,3]dioxolo[4,5-g]quinoline;hydrochloride
CID 42997566

Frequently Asked Questions

What is the IUPAC name of 8-[(4-methoxyphenyl)methyl]-[1,3]dioxolo[4,5-g]quinoline?
The IUPAC name of 8-[(4-methoxyphenyl)methyl]-[1,3]dioxolo[4,5-g]quinoline (CID 91664973) is 8-[(4-methoxyphenyl)methyl]-[1,3]dioxolo[4,5-g]quinoline.
What is the SMILES notation for 8-[(4-methoxyphenyl)methyl]-[1,3]dioxolo[4,5-g]quinoline?
The canonical SMILES for 8-[(4-methoxyphenyl)methyl]-[1,3]dioxolo[4,5-g]quinoline is COc1ccc(Cc2ccnc3cc4c(cc23)OCO4)cc1.
What is the InChIKey of 8-[(4-methoxyphenyl)methyl]-[1,3]dioxolo[4,5-g]quinoline?
The InChIKey is CJBWINNJGFHYPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO3/c1-20-14-4-2-12(3-5-14)8-13-6-7-19-16-10-18-17(9-15(13)16)21-11-22-18/h2-7,9-10H,8,11H2,1H3.
What are the key properties of 8-[(4-methoxyphenyl)methyl]-[1,3]dioxolo[4,5-g]quinoline?
8-[(4-methoxyphenyl)methyl]-[1,3]dioxolo[4,5-g]quinoline has a molecular weight of 293.32 g/mol, XLogP of 3.56, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(4-methoxyphenyl)methyl]-[1,3]dioxolo[4,5-g]quinoline is sourced from PubChem (CID 91664973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).