3-ethylquinoline-5-carboxylic acid

C12H11NO2 — CID 119085659

IUPAC3-ethylquinoline-5-carboxylic acid
SMILESCCc1cnc2cccc(C(=O)O)c2c1
InChIInChI=1S/C12H11NO2/c1-2-8-6-10-9(12(14)15)4-3-5-11(10)13-7-8/h3-7H,2H2,1H3,(H,14,15)
InChIKeyFZNNIJBZHKTKLW-UHFFFAOYSA-N
MW201.22 g/mol
LogP2.50
Rot. Bonds2

About 3-ethylquinoline-5-carboxylic acid

3-ethylquinoline-5-carboxylic acid (PubChem CID 119085659) has the molecular formula C12H11NO2 and a molecular weight of 201.22 g/mol. Its IUPAC name is 3-ethylquinoline-5-carboxylic acid.

Molecular Properties

Compound Name3-ethylquinoline-5-carboxylic acid
PubChem CID119085659
Molecular FormulaC12H11NO2
Molecular Weight201.22 g/mol
Exact Mass201.08
IUPAC Name3-ethylquinoline-5-carboxylic acid
SMILESCCc1cnc2cccc(C(=O)O)c2c1
InChIInChI=1S/C12H11NO2/c1-2-8-6-10-9(12(14)15)4-3-5-11(10)13-7-8/h3-7H,2H2,1H3,(H,14,15)
InChIKeyFZNNIJBZHKTKLW-UHFFFAOYSA-N
XLogP2.50
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.22
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-ethylquinoline-4-carboxylic acid
CID 83527113
2-acetyl-5-ethylpyridine-3-carboxylic acid
CID 19902850
2-bromo-6-ethylquinoline-4-carboxylic acid
CID 82184197
methyl 3-phenylquinoline-5-carboxylate
CID 15789216
4-(diethylamino)quinoline-3-carboxylic acid
CID 13295830
3-ethylpyridine;5-ethylpyridine-2,3-dicarboxylic acid
CID 158792112
6-ethyl-2-propan-2-ylquinoline-4-carboxylic acid
CID 5133447
4-[ethyl(methyl)amino]quinoline-3-carboxylic acid
CID 61340798
4-butoxyquinoline-3-carboxylic acid
CID 61339357
2-[(5-ethyl-2-pyridinyl)methyl]benzoic acid
CID 79740576
6-ethyl-1H-pyrrolo[3,2-b]pyridine-2-carboxylic acid
CID 105444098
(4-ethylphenyl)-quinolin-5-ylmethanone
CID 78917797

Frequently Asked Questions

What is the IUPAC name of 3-ethylquinoline-5-carboxylic acid?
The IUPAC name of 3-ethylquinoline-5-carboxylic acid (CID 119085659) is 3-ethylquinoline-5-carboxylic acid.
What is the SMILES notation for 3-ethylquinoline-5-carboxylic acid?
The canonical SMILES for 3-ethylquinoline-5-carboxylic acid is CCc1cnc2cccc(C(=O)O)c2c1.
What is the InChIKey of 3-ethylquinoline-5-carboxylic acid?
The InChIKey is FZNNIJBZHKTKLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO2/c1-2-8-6-10-9(12(14)15)4-3-5-11(10)13-7-8/h3-7H,2H2,1H3,(H,14,15).
What are the key properties of 3-ethylquinoline-5-carboxylic acid?
3-ethylquinoline-5-carboxylic acid has a molecular weight of 201.22 g/mol, XLogP of 2.50, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethylquinoline-5-carboxylic acid is sourced from PubChem (CID 119085659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).