3-ethoxycarbonyl-4-methylimidazo[1,5-a]quinoline-5-carboxylic acid

C16H14N2O4 — CID 127045332

IUPAC3-ethoxycarbonyl-4-methylimidazo[1,5-a]quinoline-5-carboxylic acid
SMILESCCOC(=O)c1ncn2c1c(C)c(C(=O)O)c1ccccc12
InChIInChI=1S/C16H14N2O4/c1-3-22-16(21)13-14-9(2)12(15(19)20)10-6-4-5-7-11(10)18(14)8-17-13/h4-8H,3H2,1-2H3,(H,19,20)
InChIKeyPVCJLVNYAOGTPK-UHFFFAOYSA-N
MW298.30 g/mol
LogP2.67
Rot. Bonds3

About 3-ethoxycarbonyl-4-methylimidazo[1,5-a]quinoline-5-carboxylic acid

3-ethoxycarbonyl-4-methylimidazo[1,5-a]quinoline-5-carboxylic acid (PubChem CID 127045332) has the molecular formula C16H14N2O4 and a molecular weight of 298.30 g/mol. Its IUPAC name is 3-ethoxycarbonyl-4-methylimidazo[1,5-a]quinoline-5-carboxylic acid.

Molecular Properties

Compound Name3-ethoxycarbonyl-4-methylimidazo[1,5-a]quinoline-5-carboxylic acid
PubChem CID127045332
Molecular FormulaC16H14N2O4
Molecular Weight298.30 g/mol
Exact Mass298.10
IUPAC Name3-ethoxycarbonyl-4-methylimidazo[1,5-a]quinoline-5-carboxylic acid
SMILESCCOC(=O)c1ncn2c1c(C)c(C(=O)O)c1ccccc12
InChIInChI=1S/C16H14N2O4/c1-3-22-16(21)13-14-9(2)12(15(19)20)10-6-4-5-7-11(10)18(14)8-17-13/h4-8H,3H2,1-2H3,(H,19,20)
InChIKeyPVCJLVNYAOGTPK-UHFFFAOYSA-N
XLogP2.67
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.30
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-ethoxycarbonyl-4-methylimidazo[1,5-a]quinoline-5-carboxylic acid?
The IUPAC name of 3-ethoxycarbonyl-4-methylimidazo[1,5-a]quinoline-5-carboxylic acid (CID 127045332) is 3-ethoxycarbonyl-4-methylimidazo[1,5-a]quinoline-5-carboxylic acid.
What is the SMILES notation for 3-ethoxycarbonyl-4-methylimidazo[1,5-a]quinoline-5-carboxylic acid?
The canonical SMILES for 3-ethoxycarbonyl-4-methylimidazo[1,5-a]quinoline-5-carboxylic acid is CCOC(=O)c1ncn2c1c(C)c(C(=O)O)c1ccccc12.
What is the InChIKey of 3-ethoxycarbonyl-4-methylimidazo[1,5-a]quinoline-5-carboxylic acid?
The InChIKey is PVCJLVNYAOGTPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O4/c1-3-22-16(21)13-14-9(2)12(15(19)20)10-6-4-5-7-11(10)18(14)8-17-13/h4-8H,3H2,1-2H3,(H,19,20).
What are the key properties of 3-ethoxycarbonyl-4-methylimidazo[1,5-a]quinoline-5-carboxylic acid?
3-ethoxycarbonyl-4-methylimidazo[1,5-a]quinoline-5-carboxylic acid has a molecular weight of 298.30 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxycarbonyl-4-methylimidazo[1,5-a]quinoline-5-carboxylic acid is sourced from PubChem (CID 127045332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).