6,7-diethoxyquinoline-2-carboxylic acid

C14H15NO4 — CID 102941445

IUPAC6,7-diethoxyquinoline-2-carboxylic acid
SMILESCCOc1cc2ccc(C(=O)O)nc2cc1OCC
InChIInChI=1S/C14H15NO4/c1-3-18-12-7-9-5-6-10(14(16)17)15-11(9)8-13(12)19-4-2/h5-8H,3-4H2,1-2H3,(H,16,17)
InChIKeyAKHVKXANDUKAON-UHFFFAOYSA-N
MW261.28 g/mol
LogP2.73
Rot. Bonds5

About 6,7-diethoxyquinoline-2-carboxylic acid

6,7-diethoxyquinoline-2-carboxylic acid (PubChem CID 102941445) has the molecular formula C14H15NO4 and a molecular weight of 261.28 g/mol. Its IUPAC name is 6,7-diethoxyquinoline-2-carboxylic acid.

Molecular Properties

Compound Name6,7-diethoxyquinoline-2-carboxylic acid
PubChem CID102941445
Molecular FormulaC14H15NO4
Molecular Weight261.28 g/mol
Exact Mass261.10
IUPAC Name6,7-diethoxyquinoline-2-carboxylic acid
SMILESCCOc1cc2ccc(C(=O)O)nc2cc1OCC
InChIInChI=1S/C14H15NO4/c1-3-18-12-7-9-5-6-10(14(16)17)15-11(9)8-13(12)19-4-2/h5-8H,3-4H2,1-2H3,(H,16,17)
InChIKeyAKHVKXANDUKAON-UHFFFAOYSA-N
XLogP2.73
TPSA68.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-ethoxy-4-methylquinoline-2-carboxylic acid
CID 82574771
methyl 2-chloro-6,7-diethoxyquinoline-3-carboxylate
CID 119054850
2-(2-ethoxyphenyl)-1,3-thiazole-4-carboxylic acid
CID 43140171
6-ethoxy-5-nitropyridine-2-carboxylic acid
CID 114403118
6-(2-fluoro-2-phenylethoxy)quinoline-2-carboxylic acid
CID 91237963
2-[[[2-(3,4-diethoxyphenyl)-2-methylpropanoyl]amino]methyl]-1,3-thiazole-4-carboxylic acid
CID 120687751
methyl 4-ethoxy-6-methylquinoline-2-carboxylate
CID 102941885
2-amino-7-ethoxy-6-methoxyquinoline-3-carboxamide
CID 124804844
3-ethoxy-4-(pyrimidin-2-ylmethoxy)benzoic acid
CID 62700677
(2-ethoxyquinolin-3-yl) hydrogen carbonate
CID 70534566
3-ethoxyquinoline-2-carbaldehyde
CID 177169665
6-[(2-ethoxybenzoyl)amino]pyridine-2-carboxylic acid
CID 63643413

Frequently Asked Questions

What is the IUPAC name of 6,7-diethoxyquinoline-2-carboxylic acid?
The IUPAC name of 6,7-diethoxyquinoline-2-carboxylic acid (CID 102941445) is 6,7-diethoxyquinoline-2-carboxylic acid.
What is the SMILES notation for 6,7-diethoxyquinoline-2-carboxylic acid?
The canonical SMILES for 6,7-diethoxyquinoline-2-carboxylic acid is CCOc1cc2ccc(C(=O)O)nc2cc1OCC.
What is the InChIKey of 6,7-diethoxyquinoline-2-carboxylic acid?
The InChIKey is AKHVKXANDUKAON-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO4/c1-3-18-12-7-9-5-6-10(14(16)17)15-11(9)8-13(12)19-4-2/h5-8H,3-4H2,1-2H3,(H,16,17).
What are the key properties of 6,7-diethoxyquinoline-2-carboxylic acid?
6,7-diethoxyquinoline-2-carboxylic acid has a molecular weight of 261.28 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-diethoxyquinoline-2-carboxylic acid is sourced from PubChem (CID 102941445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).