4-(2-hydroxyethoxy)-8-methoxyquinoline-2-carboxylic acid

C13H13NO5 — CID 121004218

IUPAC4-(2-hydroxyethoxy)-8-methoxyquinoline-2-carboxylic acid
SMILESCOc1cccc2c(OCCO)cc(C(=O)O)nc12
InChIInChI=1S/C13H13NO5/c1-18-10-4-2-3-8-11(19-6-5-15)7-9(13(16)17)14-12(8)10/h2-4,7,15H,5-6H2,1H3,(H,16,17)
InChIKeySYSRCSOSSGITAD-UHFFFAOYSA-N
MW263.25 g/mol
LogP1.31
Rot. Bonds5

About 4-(2-hydroxyethoxy)-8-methoxyquinoline-2-carboxylic acid

4-(2-hydroxyethoxy)-8-methoxyquinoline-2-carboxylic acid (PubChem CID 121004218) has the molecular formula C13H13NO5 and a molecular weight of 263.25 g/mol. Its IUPAC name is 4-(2-hydroxyethoxy)-8-methoxyquinoline-2-carboxylic acid.

Molecular Properties

Compound Name4-(2-hydroxyethoxy)-8-methoxyquinoline-2-carboxylic acid
PubChem CID121004218
Molecular FormulaC13H13NO5
Molecular Weight263.25 g/mol
Exact Mass263.08
IUPAC Name4-(2-hydroxyethoxy)-8-methoxyquinoline-2-carboxylic acid
SMILESCOc1cccc2c(OCCO)cc(C(=O)O)nc12
InChIInChI=1S/C13H13NO5/c1-18-10-4-2-3-8-11(19-6-5-15)7-9(13(16)17)14-12(8)10/h2-4,7,15H,5-6H2,1H3,(H,16,17)
InChIKeySYSRCSOSSGITAD-UHFFFAOYSA-N
XLogP1.31
TPSA88.88 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.25
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

8-methoxy-4-(methylamino)quinoline-2-carboxylic acid
CID 84626797
methyl 4-methoxy-8-propoxyquinoline-2-carboxylate
CID 102941864
4-(3-methoxypropoxy)quinoline-2-carboxylic acid
CID 55184879
1,5-dimethoxyisoquinoline-3-carboxylic acid
CID 57440903
1-bromo-5-methoxyisoquinoline-3-carboxylic acid
CID 155891869
8-methoxy-2-(3-propoxyphenyl)quinoline-4-carboxylic acid
CID 7139834
4-(2-carboxyethoxy)quinoline-2-carboxylic acid
CID 15166978
8-methoxy-2-pentan-3-ylquinoline-4-carboxylic acid
CID 5079636
2,6-bis(2-hydroxyethoxy)benzoic acid
CID 54256937
2-(3-ethoxyphenyl)-8-methoxyquinoline-4-carboxylic acid
CID 7139832
7-chloro-4-methoxy-8-methylquinoline-2-carboxylic acid
CID 102941914
4-methoxy-5-methylpyrido[3,2-b]indole-2-carboxylic acid
CID 10563006

Frequently Asked Questions

What is the IUPAC name of 4-(2-hydroxyethoxy)-8-methoxyquinoline-2-carboxylic acid?
The IUPAC name of 4-(2-hydroxyethoxy)-8-methoxyquinoline-2-carboxylic acid (CID 121004218) is 4-(2-hydroxyethoxy)-8-methoxyquinoline-2-carboxylic acid.
What is the SMILES notation for 4-(2-hydroxyethoxy)-8-methoxyquinoline-2-carboxylic acid?
The canonical SMILES for 4-(2-hydroxyethoxy)-8-methoxyquinoline-2-carboxylic acid is COc1cccc2c(OCCO)cc(C(=O)O)nc12.
What is the InChIKey of 4-(2-hydroxyethoxy)-8-methoxyquinoline-2-carboxylic acid?
The InChIKey is SYSRCSOSSGITAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO5/c1-18-10-4-2-3-8-11(19-6-5-15)7-9(13(16)17)14-12(8)10/h2-4,7,15H,5-6H2,1H3,(H,16,17).
What are the key properties of 4-(2-hydroxyethoxy)-8-methoxyquinoline-2-carboxylic acid?
4-(2-hydroxyethoxy)-8-methoxyquinoline-2-carboxylic acid has a molecular weight of 263.25 g/mol, XLogP of 1.31, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-hydroxyethoxy)-8-methoxyquinoline-2-carboxylic acid is sourced from PubChem (CID 121004218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).