6-(2,2-dimethyl-3-oxomorpholin-4-yl)quinoline-4-carboxylic acid

C16H16N2O4 — CID 164532873

IUPAC6-(2,2-dimethyl-3-oxomorpholin-4-yl)quinoline-4-carboxylic acid
SMILESCC1(C)OCCN(c2ccc3nccc(C(=O)O)c3c2)C1=O
InChIInChI=1S/C16H16N2O4/c1-16(2)15(21)18(7-8-22-16)10-3-4-13-12(9-10)11(14(19)20)5-6-17-13/h3-6,9H,7-8H2,1-2H3,(H,19,20)
InChIKeySKYMHMOZBNJZOO-UHFFFAOYSA-N
MW300.31 g/mol
LogP2.07
Rot. Bonds2

About 6-(2,2-dimethyl-3-oxomorpholin-4-yl)quinoline-4-carboxylic acid

6-(2,2-dimethyl-3-oxomorpholin-4-yl)quinoline-4-carboxylic acid (PubChem CID 164532873) has the molecular formula C16H16N2O4 and a molecular weight of 300.31 g/mol. Its IUPAC name is 6-(2,2-dimethyl-3-oxomorpholin-4-yl)quinoline-4-carboxylic acid.

Molecular Properties

Compound Name6-(2,2-dimethyl-3-oxomorpholin-4-yl)quinoline-4-carboxylic acid
PubChem CID164532873
Molecular FormulaC16H16N2O4
Molecular Weight300.31 g/mol
Exact Mass300.11
IUPAC Name6-(2,2-dimethyl-3-oxomorpholin-4-yl)quinoline-4-carboxylic acid
SMILESCC1(C)OCCN(c2ccc3nccc(C(=O)O)c3c2)C1=O
InChIInChI=1S/C16H16N2O4/c1-16(2)15(21)18(7-8-22-16)10-3-4-13-12(9-10)11(14(19)20)5-6-17-13/h3-6,9H,7-8H2,1-2H3,(H,19,20)
InChIKeySKYMHMOZBNJZOO-UHFFFAOYSA-N
XLogP2.07
TPSA79.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.31
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(2,2-dimethyl-3-oxomorpholin-4-yl)quinoline-4-carboxylic acid?
The IUPAC name of 6-(2,2-dimethyl-3-oxomorpholin-4-yl)quinoline-4-carboxylic acid (CID 164532873) is 6-(2,2-dimethyl-3-oxomorpholin-4-yl)quinoline-4-carboxylic acid.
What is the SMILES notation for 6-(2,2-dimethyl-3-oxomorpholin-4-yl)quinoline-4-carboxylic acid?
The canonical SMILES for 6-(2,2-dimethyl-3-oxomorpholin-4-yl)quinoline-4-carboxylic acid is CC1(C)OCCN(c2ccc3nccc(C(=O)O)c3c2)C1=O.
What is the InChIKey of 6-(2,2-dimethyl-3-oxomorpholin-4-yl)quinoline-4-carboxylic acid?
The InChIKey is SKYMHMOZBNJZOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O4/c1-16(2)15(21)18(7-8-22-16)10-3-4-13-12(9-10)11(14(19)20)5-6-17-13/h3-6,9H,7-8H2,1-2H3,(H,19,20).
What are the key properties of 6-(2,2-dimethyl-3-oxomorpholin-4-yl)quinoline-4-carboxylic acid?
6-(2,2-dimethyl-3-oxomorpholin-4-yl)quinoline-4-carboxylic acid has a molecular weight of 300.31 g/mol, XLogP of 2.07, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,2-dimethyl-3-oxomorpholin-4-yl)quinoline-4-carboxylic acid is sourced from PubChem (CID 164532873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).