6-[(4-methoxyphenoxy)methyl]-[1,3]dioxolo[4,5-g]quinoline-7-carboxylic acid

C19H15NO6 — CID 4183514

IUPAC6-[(4-methoxyphenoxy)methyl]-[1,3]dioxolo[4,5-g]quinoline-7-carboxylic acid
SMILESCOc1ccc(OCc2nc3cc4c(cc3cc2C(=O)O)OCO4)cc1
InChIInChI=1S/C19H15NO6/c1-23-12-2-4-13(5-3-12)24-9-16-14(19(21)22)6-11-7-17-18(26-10-25-17)8-15(11)20-16/h2-8H,9-10H2,1H3,(H,21,22)
InChIKeyRUYALBZAAJHFCS-UHFFFAOYSA-N
MW353.33 g/mol
LogP3.25
Rot. Bonds5

About 6-[(4-methoxyphenoxy)methyl]-[1,3]dioxolo[4,5-g]quinoline-7-carboxylic acid

6-[(4-methoxyphenoxy)methyl]-[1,3]dioxolo[4,5-g]quinoline-7-carboxylic acid (PubChem CID 4183514) has the molecular formula C19H15NO6 and a molecular weight of 353.33 g/mol. Its IUPAC name is 6-[(4-methoxyphenoxy)methyl]-[1,3]dioxolo[4,5-g]quinoline-7-carboxylic acid.

Molecular Properties

Compound Name6-[(4-methoxyphenoxy)methyl]-[1,3]dioxolo[4,5-g]quinoline-7-carboxylic acid
PubChem CID4183514
Molecular FormulaC19H15NO6
Molecular Weight353.33 g/mol
Exact Mass353.09
IUPAC Name6-[(4-methoxyphenoxy)methyl]-[1,3]dioxolo[4,5-g]quinoline-7-carboxylic acid
SMILESCOc1ccc(OCc2nc3cc4c(cc3cc2C(=O)O)OCO4)cc1
InChIInChI=1S/C19H15NO6/c1-23-12-2-4-13(5-3-12)24-9-16-14(19(21)22)6-11-7-17-18(26-10-25-17)8-15(11)20-16/h2-8H,9-10H2,1H3,(H,21,22)
InChIKeyRUYALBZAAJHFCS-UHFFFAOYSA-N
XLogP3.25
TPSA87.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.33
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-[(4-methoxyphenoxy)methyl]-[1,3]dioxolo[4,5-g]quinoline-7-carboxylic acid with MolForge

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Related Compounds

16,17-dimethoxy-5,7-dioxa-11-azapentacyclo[11.8.0.02,10.04,8.014,19]henicosa-1(21),2,4(8),9,11,13,15,17,19-nonaene-20-carboxylic acid
CID 67471896
2-(1,3-benzodioxol-5-ylmethylamino)-4-(methoxymethyl)pyrimidine-5-carboxylic acid
CID 91905879
2-(1,3-benzodioxol-5-yl)-N-[2-(4-methoxyphenoxy)ethyl]acetamide
CID 110767410
5-[(4-methoxyphenoxy)methyl]-2H-triazole-4-carboxylic acid
CID 117214219
6-[[4-(1,3-benzodioxol-5-yl)phenoxy]methyl]pyridine-2-carboxylic acid
CID 11501161
8-(diethylamino)-[1,3]dioxolo[4,5-g]quinoline-7-carboxylic acid
CID 39732445
8-(4-methoxyphenyl)-3,4-dihydro-2H-[1,4]dioxepino[2,3-g]quinoline-10-carboxylic acid
CID 18073731
4-[(4-methoxyphenoxy)methyl]thiadiazole-5-carboxylic acid
CID 117214385
6-(1,2-oxazol-4-ylmethoxy)-1,3-benzodioxole-5-carboxylic acid
CID 54979334
6-(3-methoxy-3-oxopropoxy)-1,3-benzodioxole-5-carboxylic acid
CID 63947884
N-(2,5-dimethoxyphenyl)-2-[(7-ethyl-[1,3]dioxolo[4,5-g]quinolin-6-yl)sulfanyl]acetamide
CID 3208256
1-(6-hydroxy-1,3-benzodioxol-5-yl)-2-(2-hydroxy-4-methoxyphenyl)ethane-1,2-dione
CID 643011

Frequently Asked Questions

What is the IUPAC name of 6-[(4-methoxyphenoxy)methyl]-[1,3]dioxolo[4,5-g]quinoline-7-carboxylic acid?
The IUPAC name of 6-[(4-methoxyphenoxy)methyl]-[1,3]dioxolo[4,5-g]quinoline-7-carboxylic acid (CID 4183514) is 6-[(4-methoxyphenoxy)methyl]-[1,3]dioxolo[4,5-g]quinoline-7-carboxylic acid.
What is the SMILES notation for 6-[(4-methoxyphenoxy)methyl]-[1,3]dioxolo[4,5-g]quinoline-7-carboxylic acid?
The canonical SMILES for 6-[(4-methoxyphenoxy)methyl]-[1,3]dioxolo[4,5-g]quinoline-7-carboxylic acid is COc1ccc(OCc2nc3cc4c(cc3cc2C(=O)O)OCO4)cc1.
What is the InChIKey of 6-[(4-methoxyphenoxy)methyl]-[1,3]dioxolo[4,5-g]quinoline-7-carboxylic acid?
The InChIKey is RUYALBZAAJHFCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15NO6/c1-23-12-2-4-13(5-3-12)24-9-16-14(19(21)22)6-11-7-17-18(26-10-25-17)8-15(11)20-16/h2-8H,9-10H2,1H3,(H,21,22).
What are the key properties of 6-[(4-methoxyphenoxy)methyl]-[1,3]dioxolo[4,5-g]quinoline-7-carboxylic acid?
6-[(4-methoxyphenoxy)methyl]-[1,3]dioxolo[4,5-g]quinoline-7-carboxylic acid has a molecular weight of 353.33 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-methoxyphenoxy)methyl]-[1,3]dioxolo[4,5-g]quinoline-7-carboxylic acid is sourced from PubChem (CID 4183514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).