2,4-bis(ethoxycarbonyl)quinoline-6-carboxylic acid

C16H15NO6 — CID 71486114

IUPAC2,4-bis(ethoxycarbonyl)quinoline-6-carboxylic acid
SMILESCCOC(=O)c1cc(C(=O)OCC)c2cc(C(=O)O)ccc2n1
InChIInChI=1S/C16H15NO6/c1-3-22-15(20)11-8-13(16(21)23-4-2)17-12-6-5-9(14(18)19)7-10(11)12/h5-8H,3-4H2,1-2H3,(H,18,19)
InChIKeyNYVQBDXQMGXFSX-UHFFFAOYSA-N
MW317.30 g/mol
LogP2.29
Rot. Bonds5

About 2,4-bis(ethoxycarbonyl)quinoline-6-carboxylic acid

2,4-bis(ethoxycarbonyl)quinoline-6-carboxylic acid (PubChem CID 71486114) has the molecular formula C16H15NO6 and a molecular weight of 317.30 g/mol. Its IUPAC name is 2,4-bis(ethoxycarbonyl)quinoline-6-carboxylic acid.

Molecular Properties

Compound Name2,4-bis(ethoxycarbonyl)quinoline-6-carboxylic acid
PubChem CID71486114
Molecular FormulaC16H15NO6
Molecular Weight317.30 g/mol
Exact Mass317.09
IUPAC Name2,4-bis(ethoxycarbonyl)quinoline-6-carboxylic acid
SMILESCCOC(=O)c1cc(C(=O)OCC)c2cc(C(=O)O)ccc2n1
InChIInChI=1S/C16H15NO6/c1-3-22-15(20)11-8-13(16(21)23-4-2)17-12-6-5-9(14(18)19)7-10(11)12/h5-8H,3-4H2,1-2H3,(H,18,19)
InChIKeyNYVQBDXQMGXFSX-UHFFFAOYSA-N
XLogP2.29
TPSA102.79 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.30
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 2-(4-bromobenzoyl)-6-methylquinoline-4-carboxylate
CID 164676431
diethyl 6-[4-[4-(4-ethoxycarbonyl-2-formylquinolin-6-yl)phenyl]phenyl]quinoline-2,4-dicarboxylate
CID 168897753
4-ethoxycarbonylbenzene-1,3-dicarboxylic acid;hydrate
CID 174539345
2-O-ethyl 4-O-methyl 6-cyclohexylquinoline-2,4-dicarboxylate
CID 102222265
2-ethoxycarbonyl-6-fluoroquinolin-4-olate
CID 51421181
ethyl 4-fluoroquinoline-2-carboxylate
CID 125473134
6-ethoxycarbonylazulene-2-carboxylic acid
CID 90906304
ethyl 6-hydroxy-2-phenylquinoline-4-carboxylate
CID 67204819
diethyl 5,7-dichloroquinoline-2,4-dicarboxylate
CID 19747565
ethyl 4-methoxy-2-methylquinoline-6-carboxylate
CID 23877743
ethyl 4-oxo-3H-quinazoline-6-carboxylate
CID 135742218
diethyl 4-aminoquinoline-3,6-dicarboxylate
CID 17028175

Frequently Asked Questions

What is the IUPAC name of 2,4-bis(ethoxycarbonyl)quinoline-6-carboxylic acid?
The IUPAC name of 2,4-bis(ethoxycarbonyl)quinoline-6-carboxylic acid (CID 71486114) is 2,4-bis(ethoxycarbonyl)quinoline-6-carboxylic acid.
What is the SMILES notation for 2,4-bis(ethoxycarbonyl)quinoline-6-carboxylic acid?
The canonical SMILES for 2,4-bis(ethoxycarbonyl)quinoline-6-carboxylic acid is CCOC(=O)c1cc(C(=O)OCC)c2cc(C(=O)O)ccc2n1.
What is the InChIKey of 2,4-bis(ethoxycarbonyl)quinoline-6-carboxylic acid?
The InChIKey is NYVQBDXQMGXFSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO6/c1-3-22-15(20)11-8-13(16(21)23-4-2)17-12-6-5-9(14(18)19)7-10(11)12/h5-8H,3-4H2,1-2H3,(H,18,19).
What are the key properties of 2,4-bis(ethoxycarbonyl)quinoline-6-carboxylic acid?
2,4-bis(ethoxycarbonyl)quinoline-6-carboxylic acid has a molecular weight of 317.30 g/mol, XLogP of 2.29, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-bis(ethoxycarbonyl)quinoline-6-carboxylic acid is sourced from PubChem (CID 71486114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).