6,8-dimethyl-[1,3]dioxolo[4,5-g]quinoline-7-carboxylic acid

C13H11NO4 — CID 2458135

IUPAC6,8-dimethyl-[1,3]dioxolo[4,5-g]quinoline-7-carboxylic acid
SMILESCc1nc2cc3c(cc2c(C)c1C(=O)O)OCO3
InChIInChI=1S/C13H11NO4/c1-6-8-3-10-11(18-5-17-10)4-9(8)14-7(2)12(6)13(15)16/h3-4H,5H2,1-2H3,(H,15,16)
InChIKeyFWYDDXQDQHZOCP-UHFFFAOYSA-N
MW245.23 g/mol
LogP2.28
Rot. Bonds1

About 6,8-dimethyl-[1,3]dioxolo[4,5-g]quinoline-7-carboxylic acid

6,8-dimethyl-[1,3]dioxolo[4,5-g]quinoline-7-carboxylic acid (PubChem CID 2458135) has the molecular formula C13H11NO4 and a molecular weight of 245.23 g/mol. Its IUPAC name is 6,8-dimethyl-[1,3]dioxolo[4,5-g]quinoline-7-carboxylic acid.

Molecular Properties

Compound Name6,8-dimethyl-[1,3]dioxolo[4,5-g]quinoline-7-carboxylic acid
PubChem CID2458135
Molecular FormulaC13H11NO4
Molecular Weight245.23 g/mol
Exact Mass245.07
IUPAC Name6,8-dimethyl-[1,3]dioxolo[4,5-g]quinoline-7-carboxylic acid
SMILESCc1nc2cc3c(cc2c(C)c1C(=O)O)OCO3
InChIInChI=1S/C13H11NO4/c1-6-8-3-10-11(18-5-17-10)4-9(8)14-7(2)12(6)13(15)16/h3-4H,5H2,1-2H3,(H,15,16)
InChIKeyFWYDDXQDQHZOCP-UHFFFAOYSA-N
XLogP2.28
TPSA68.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.23
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl 6,8-dimethyl-[1,3]dioxolo[4,5-g]quinoline-7-carboxylate
CID 30333547
2-(8-methyl-6-thiophen-2-yl-[1,3]dioxolo[4,5-g]quinolin-7-yl)acetic acid
CID 18073411
2-[6-(4-ethoxyphenyl)-8-methyl-[1,3]dioxolo[4,5-g]quinolin-7-yl]acetic acid
CID 18073417
6-methyl-[1,3]dioxolo[4,5-g]quinazolin-8-amine
CID 12668716
[1,3]dioxolo[4,5-g]cinnoline-4-carboxylic acid
CID 23401185
9-(1,3-benzodioxol-5-yl)-6-methylbenzo[g][1,3]benzodioxole-7,8-dicarboxylic acid
CID 70271057
8-morpholin-4-yl-[1,3]dioxolo[4,5-g]quinoline-6-carboxylic acid
CID 70304711
2-[6-(2-methoxy-5-methylphenyl)-8-methyl-[1,3]dioxolo[4,5-g]quinolin-7-yl]acetic acid
CID 18073407
(7,8-dimethyl-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-9-yl)methanamine
CID 23557922
6-methyl-8-[(6-methyl-[1,3]dioxolo[4,5-g]quinazolin-8-yl)disulfanyl]-[1,3]dioxolo[4,5-g]quinazoline
CID 13085991
N,8-dimethyl-[1,3]dioxolo[4,5-g]quinolin-6-amine
CID 84622210
6,8-dimethyl-7-oxido-[1,3]dioxolo[4,5-g]quinazolin-7-ium
CID 102138218

Frequently Asked Questions

What is the IUPAC name of 6,8-dimethyl-[1,3]dioxolo[4,5-g]quinoline-7-carboxylic acid?
The IUPAC name of 6,8-dimethyl-[1,3]dioxolo[4,5-g]quinoline-7-carboxylic acid (CID 2458135) is 6,8-dimethyl-[1,3]dioxolo[4,5-g]quinoline-7-carboxylic acid.
What is the SMILES notation for 6,8-dimethyl-[1,3]dioxolo[4,5-g]quinoline-7-carboxylic acid?
The canonical SMILES for 6,8-dimethyl-[1,3]dioxolo[4,5-g]quinoline-7-carboxylic acid is Cc1nc2cc3c(cc2c(C)c1C(=O)O)OCO3.
What is the InChIKey of 6,8-dimethyl-[1,3]dioxolo[4,5-g]quinoline-7-carboxylic acid?
The InChIKey is FWYDDXQDQHZOCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NO4/c1-6-8-3-10-11(18-5-17-10)4-9(8)14-7(2)12(6)13(15)16/h3-4H,5H2,1-2H3,(H,15,16).
What are the key properties of 6,8-dimethyl-[1,3]dioxolo[4,5-g]quinoline-7-carboxylic acid?
6,8-dimethyl-[1,3]dioxolo[4,5-g]quinoline-7-carboxylic acid has a molecular weight of 245.23 g/mol, XLogP of 2.28, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dimethyl-[1,3]dioxolo[4,5-g]quinoline-7-carboxylic acid is sourced from PubChem (CID 2458135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).