2-ethoxycarbonylquinoline-8-carboxylic acid

C13H11NO4 — CID 141289138

IUPAC2-ethoxycarbonylquinoline-8-carboxylic acid
SMILESCCOC(=O)c1ccc2cccc(C(=O)O)c2n1
InChIInChI=1S/C13H11NO4/c1-2-18-13(17)10-7-6-8-4-3-5-9(12(15)16)11(8)14-10/h3-7H,2H2,1H3,(H,15,16)
InChIKeyRKRCHVLMZKBAJK-UHFFFAOYSA-N
MW245.23 g/mol
LogP2.11
Rot. Bonds3

About 2-ethoxycarbonylquinoline-8-carboxylic acid

2-ethoxycarbonylquinoline-8-carboxylic acid (PubChem CID 141289138) has the molecular formula C13H11NO4 and a molecular weight of 245.23 g/mol. Its IUPAC name is 2-ethoxycarbonylquinoline-8-carboxylic acid.

Molecular Properties

Compound Name2-ethoxycarbonylquinoline-8-carboxylic acid
PubChem CID141289138
Molecular FormulaC13H11NO4
Molecular Weight245.23 g/mol
Exact Mass245.07
IUPAC Name2-ethoxycarbonylquinoline-8-carboxylic acid
SMILESCCOC(=O)c1ccc2cccc(C(=O)O)c2n1
InChIInChI=1S/C13H11NO4/c1-2-18-13(17)10-7-6-8-4-3-5-9(12(15)16)11(8)14-10/h3-7H,2H2,1H3,(H,15,16)
InChIKeyRKRCHVLMZKBAJK-UHFFFAOYSA-N
XLogP2.11
TPSA76.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.23
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

quinoline-2,8-dicarboxylic acid
CID 19033995
ethyl 6,8-dimethylquinoline-2-carboxylate
CID 102310352
diethyl phenazine-1,6-dicarboxylate
CID 71514835
ethyl 6-bromopyridine-2-carboxylate
CID 2758810
ethyl 3-(2-methylquinolin-8-yl)but-2-enoate
CID 70983530
barium(2+);2-ethoxycarbonylbenzoic acid;hydride
CID 174858684
ethyl benzoate;phthalic acid
CID 159584831
ethene;2-ethoxycarbonylbenzoic acid
CID 159652266
3-amino-2-ethoxycarbonylbenzoic acid
CID 91873809
ethyl chrysene-1-carboxylate
CID 86251232
sodium;ethyl 6-(hydroxymethyl)pyridine-2-carboxylate;6-(hydroxymethyl)pyridine-2-carboxylic acid;methanol;hydroxide
CID 159405801
8-(2-amino-3-ethoxycarbonylpyrrolo[3,2-b]quinoxalin-1-yl)quinoline-2-carboxylic acid
CID 1400081

Frequently Asked Questions

What is the IUPAC name of 2-ethoxycarbonylquinoline-8-carboxylic acid?
The IUPAC name of 2-ethoxycarbonylquinoline-8-carboxylic acid (CID 141289138) is 2-ethoxycarbonylquinoline-8-carboxylic acid.
What is the SMILES notation for 2-ethoxycarbonylquinoline-8-carboxylic acid?
The canonical SMILES for 2-ethoxycarbonylquinoline-8-carboxylic acid is CCOC(=O)c1ccc2cccc(C(=O)O)c2n1.
What is the InChIKey of 2-ethoxycarbonylquinoline-8-carboxylic acid?
The InChIKey is RKRCHVLMZKBAJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NO4/c1-2-18-13(17)10-7-6-8-4-3-5-9(12(15)16)11(8)14-10/h3-7H,2H2,1H3,(H,15,16).
What are the key properties of 2-ethoxycarbonylquinoline-8-carboxylic acid?
2-ethoxycarbonylquinoline-8-carboxylic acid has a molecular weight of 245.23 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxycarbonylquinoline-8-carboxylic acid is sourced from PubChem (CID 141289138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).