4-ethoxy-6-methoxy-8-methylquinoline-2-carboxylic acid

C14H15NO4 — CID 53491075

IUPAC4-ethoxy-6-methoxy-8-methylquinoline-2-carboxylic acid
SMILESCCOc1cc(C(=O)O)nc2c(C)cc(OC)cc12
InChIInChI=1S/C14H15NO4/c1-4-19-12-7-11(14(16)17)15-13-8(2)5-9(18-3)6-10(12)13/h5-7H,4H2,1-3H3,(H,16,17)
InChIKeyCAPZWEWYLGWLID-UHFFFAOYSA-N
MW261.28 g/mol
LogP2.65
Rot. Bonds4

About 4-ethoxy-6-methoxy-8-methylquinoline-2-carboxylic acid

4-ethoxy-6-methoxy-8-methylquinoline-2-carboxylic acid (PubChem CID 53491075) has the molecular formula C14H15NO4 and a molecular weight of 261.28 g/mol. Its IUPAC name is 4-ethoxy-6-methoxy-8-methylquinoline-2-carboxylic acid.

Molecular Properties

Compound Name4-ethoxy-6-methoxy-8-methylquinoline-2-carboxylic acid
PubChem CID53491075
Molecular FormulaC14H15NO4
Molecular Weight261.28 g/mol
Exact Mass261.10
IUPAC Name4-ethoxy-6-methoxy-8-methylquinoline-2-carboxylic acid
SMILESCCOc1cc(C(=O)O)nc2c(C)cc(OC)cc12
InChIInChI=1S/C14H15NO4/c1-4-19-12-7-11(14(16)17)15-13-8(2)5-9(18-3)6-10(12)13/h5-7H,4H2,1-3H3,(H,16,17)
InChIKeyCAPZWEWYLGWLID-UHFFFAOYSA-N
XLogP2.65
TPSA68.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-6-methoxy-8-methylquinoline-2-carboxylic acid?
The IUPAC name of 4-ethoxy-6-methoxy-8-methylquinoline-2-carboxylic acid (CID 53491075) is 4-ethoxy-6-methoxy-8-methylquinoline-2-carboxylic acid.
What is the SMILES notation for 4-ethoxy-6-methoxy-8-methylquinoline-2-carboxylic acid?
The canonical SMILES for 4-ethoxy-6-methoxy-8-methylquinoline-2-carboxylic acid is CCOc1cc(C(=O)O)nc2c(C)cc(OC)cc12.
What is the InChIKey of 4-ethoxy-6-methoxy-8-methylquinoline-2-carboxylic acid?
The InChIKey is CAPZWEWYLGWLID-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO4/c1-4-19-12-7-11(14(16)17)15-13-8(2)5-9(18-3)6-10(12)13/h5-7H,4H2,1-3H3,(H,16,17).
What are the key properties of 4-ethoxy-6-methoxy-8-methylquinoline-2-carboxylic acid?
4-ethoxy-6-methoxy-8-methylquinoline-2-carboxylic acid has a molecular weight of 261.28 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-6-methoxy-8-methylquinoline-2-carboxylic acid is sourced from PubChem (CID 53491075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).