8-(diethylamino)-[1,3]dioxolo[4,5-g]quinoline-7-carboxylic acid

C15H16N2O4 — CID 39732445

IUPAC8-(diethylamino)-[1,3]dioxolo[4,5-g]quinoline-7-carboxylic acid
SMILESCCN(CC)c1c(C(=O)O)cnc2cc3c(cc12)OCO3
InChIInChI=1S/C15H16N2O4/c1-3-17(4-2)14-9-5-12-13(21-8-20-12)6-11(9)16-7-10(14)15(18)19/h5-7H,3-4,8H2,1-2H3,(H,18,19)
InChIKeyOCHNKOWNCMNOCO-UHFFFAOYSA-N
MW288.30 g/mol
LogP2.51
Rot. Bonds4

About 8-(diethylamino)-[1,3]dioxolo[4,5-g]quinoline-7-carboxylic acid

8-(diethylamino)-[1,3]dioxolo[4,5-g]quinoline-7-carboxylic acid (PubChem CID 39732445) has the molecular formula C15H16N2O4 and a molecular weight of 288.30 g/mol. Its IUPAC name is 8-(diethylamino)-[1,3]dioxolo[4,5-g]quinoline-7-carboxylic acid.

Molecular Properties

Compound Name8-(diethylamino)-[1,3]dioxolo[4,5-g]quinoline-7-carboxylic acid
PubChem CID39732445
Molecular FormulaC15H16N2O4
Molecular Weight288.30 g/mol
Exact Mass288.11
IUPAC Name8-(diethylamino)-[1,3]dioxolo[4,5-g]quinoline-7-carboxylic acid
SMILESCCN(CC)c1c(C(=O)O)cnc2cc3c(cc12)OCO3
InChIInChI=1S/C15H16N2O4/c1-3-17(4-2)14-9-5-12-13(21-8-20-12)6-11(9)16-7-10(14)15(18)19/h5-7H,3-4,8H2,1-2H3,(H,18,19)
InChIKeyOCHNKOWNCMNOCO-UHFFFAOYSA-N
XLogP2.51
TPSA71.89 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-(diethylamino)-[1,3]dioxolo[4,5-g]quinoline-7-carboxylic acid?
The IUPAC name of 8-(diethylamino)-[1,3]dioxolo[4,5-g]quinoline-7-carboxylic acid (CID 39732445) is 8-(diethylamino)-[1,3]dioxolo[4,5-g]quinoline-7-carboxylic acid.
What is the SMILES notation for 8-(diethylamino)-[1,3]dioxolo[4,5-g]quinoline-7-carboxylic acid?
The canonical SMILES for 8-(diethylamino)-[1,3]dioxolo[4,5-g]quinoline-7-carboxylic acid is CCN(CC)c1c(C(=O)O)cnc2cc3c(cc12)OCO3.
What is the InChIKey of 8-(diethylamino)-[1,3]dioxolo[4,5-g]quinoline-7-carboxylic acid?
The InChIKey is OCHNKOWNCMNOCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O4/c1-3-17(4-2)14-9-5-12-13(21-8-20-12)6-11(9)16-7-10(14)15(18)19/h5-7H,3-4,8H2,1-2H3,(H,18,19).
What are the key properties of 8-(diethylamino)-[1,3]dioxolo[4,5-g]quinoline-7-carboxylic acid?
8-(diethylamino)-[1,3]dioxolo[4,5-g]quinoline-7-carboxylic acid has a molecular weight of 288.30 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(diethylamino)-[1,3]dioxolo[4,5-g]quinoline-7-carboxylic acid is sourced from PubChem (CID 39732445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).